data_16261 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16261 _Entry.Title ; 1H, 15N, 13C assignments of the Riphicephalus (Boophilus) microplus antimicrobial protein microplusin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-20 _Entry.Accession_date 2009-04-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jose Pires . R. . 16261 2 Carlos Rezende . A. . 16261 3 Fernanda Dias . . . 16261 4 Sirlei Daffre . . . 16261 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16261 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 254 16261 '15N chemical shifts' 99 16261 '1H chemical shifts' 493 16261 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-11-13 2009-04-20 update BMRB 'complete entry citation' 16261 1 . . 2009-07-22 2009-04-20 original author 'original release' 16261 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16261 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-009-9171-7 _Citation.PubMed_ID 19888687 _Citation.Full_citation . _Citation.Title '(1)H, (15)N and (13)C assignments of the Rhipicephalus (Boophilus) microplus anti-microbial peptide microplusin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 187 _Citation.Page_last 189 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Carlos Rezende . A. . 16261 1 2 Fernanda Silva . D. . 16261 1 3 Sirlei Daffre . . . 16261 1 4 Jose Pires . R. . 16261 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Antimicrobial protein' 16261 1 Microplusin 16261 1 'Rhipicephalus (Boophilus) microplus' 16261 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_my_system _Assembly.Sf_category assembly _Assembly.Sf_framecode my_system _Assembly.Entry_ID 16261 _Assembly.ID 1 _Assembly.Name Microplusin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10204 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Microplusin 1 $Microplusin A . yes native yes no . . . 16261 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Microplusin _Entity.Sf_category entity _Entity.Sf_framecode Microplusin _Entity.Entry_ID 16261 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Microplusin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HHQELCTKGDDALVTELECI RLRISPETNAAFDNAVQQLN CLNRACAYRKMCATNNLEQA MSVYFTNEQIKEIHDAATAC DPEAHHEHDH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KNJ . "Nmr Structure Of Microplusin A Antimicrobial Peptide From Rhipicephalus (Boophilus) Microplus" . . . . . 100.00 90 100.00 100.00 1.79e-58 . . . . 16261 1 2 no GB AAO48942 . "microplusin preprotein [Rhipicephalus microplus]" . . . . . 100.00 110 100.00 100.00 2.67e-59 . . . . 16261 1 3 no SP Q86LE5 . "RecName: Full=Antimicrobial peptide microplusin; Short=Microplusin; Flags: Precursor [Rhipicephalus microplus]" . . . . . 100.00 110 100.00 100.00 2.67e-59 . . . . 16261 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Antimicrobial protein' 16261 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . HIS . 16261 1 2 . HIS . 16261 1 3 . GLN . 16261 1 4 . GLU . 16261 1 5 . LEU . 16261 1 6 . CYS . 16261 1 7 . THR . 16261 1 8 . LYS . 16261 1 9 . GLY . 16261 1 10 . ASP . 16261 1 11 . ASP . 16261 1 12 . ALA . 16261 1 13 . LEU . 16261 1 14 . VAL . 16261 1 15 . THR . 16261 1 16 . GLU . 16261 1 17 . LEU . 16261 1 18 . GLU . 16261 1 19 . CYS . 16261 1 20 . ILE . 16261 1 21 . ARG . 16261 1 22 . LEU . 16261 1 23 . ARG . 16261 1 24 . ILE . 16261 1 25 . SER . 16261 1 26 . PRO . 16261 1 27 . GLU . 16261 1 28 . THR . 16261 1 29 . ASN . 16261 1 30 . ALA . 16261 1 31 . ALA . 16261 1 32 . PHE . 16261 1 33 . ASP . 16261 1 34 . ASN . 16261 1 35 . ALA . 16261 1 36 . VAL . 16261 1 37 . GLN . 16261 1 38 . GLN . 16261 1 39 . LEU . 16261 1 40 . ASN . 16261 1 41 . CYS . 16261 1 42 . LEU . 16261 1 43 . ASN . 16261 1 44 . ARG . 16261 1 45 . ALA . 16261 1 46 . CYS . 16261 1 47 . ALA . 16261 1 48 . TYR . 16261 1 49 . ARG . 16261 1 50 . LYS . 16261 1 51 . MET . 16261 1 52 . CYS . 16261 1 53 . ALA . 16261 1 54 . THR . 16261 1 55 . ASN . 16261 1 56 . ASN . 16261 1 57 . LEU . 16261 1 58 . GLU . 16261 1 59 . GLN . 16261 1 60 . ALA . 16261 1 61 . MET . 16261 1 62 . SER . 16261 1 63 . VAL . 16261 1 64 . TYR . 16261 1 65 . PHE . 16261 1 66 . THR . 16261 1 67 . ASN . 16261 1 68 . GLU . 16261 1 69 . GLN . 16261 1 70 . ILE . 16261 1 71 . LYS . 16261 1 72 . GLU . 16261 1 73 . ILE . 16261 1 74 . HIS . 16261 1 75 . ASP . 16261 1 76 . ALA . 16261 1 77 . ALA . 16261 1 78 . THR . 16261 1 79 . ALA . 16261 1 80 . CYS . 16261 1 81 . ASP . 16261 1 82 . PRO . 16261 1 83 . GLU . 16261 1 84 . ALA . 16261 1 85 . HIS . 16261 1 86 . HIS . 16261 1 87 . GLU . 16261 1 88 . HIS . 16261 1 89 . ASP . 16261 1 90 . HIS . 16261 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . HIS 1 1 16261 1 . HIS 2 2 16261 1 . GLN 3 3 16261 1 . GLU 4 4 16261 1 . LEU 5 5 16261 1 . CYS 6 6 16261 1 . THR 7 7 16261 1 . LYS 8 8 16261 1 . GLY 9 9 16261 1 . ASP 10 10 16261 1 . ASP 11 11 16261 1 . ALA 12 12 16261 1 . LEU 13 13 16261 1 . VAL 14 14 16261 1 . THR 15 15 16261 1 . GLU 16 16 16261 1 . LEU 17 17 16261 1 . GLU 18 18 16261 1 . CYS 19 19 16261 1 . ILE 20 20 16261 1 . ARG 21 21 16261 1 . LEU 22 22 16261 1 . ARG 23 23 16261 1 . ILE 24 24 16261 1 . SER 25 25 16261 1 . PRO 26 26 16261 1 . GLU 27 27 16261 1 . THR 28 28 16261 1 . ASN 29 29 16261 1 . ALA 30 30 16261 1 . ALA 31 31 16261 1 . PHE 32 32 16261 1 . ASP 33 33 16261 1 . ASN 34 34 16261 1 . ALA 35 35 16261 1 . VAL 36 36 16261 1 . GLN 37 37 16261 1 . GLN 38 38 16261 1 . LEU 39 39 16261 1 . ASN 40 40 16261 1 . CYS 41 41 16261 1 . LEU 42 42 16261 1 . ASN 43 43 16261 1 . ARG 44 44 16261 1 . ALA 45 45 16261 1 . CYS 46 46 16261 1 . ALA 47 47 16261 1 . TYR 48 48 16261 1 . ARG 49 49 16261 1 . LYS 50 50 16261 1 . MET 51 51 16261 1 . CYS 52 52 16261 1 . ALA 53 53 16261 1 . THR 54 54 16261 1 . ASN 55 55 16261 1 . ASN 56 56 16261 1 . LEU 57 57 16261 1 . GLU 58 58 16261 1 . GLN 59 59 16261 1 . ALA 60 60 16261 1 . MET 61 61 16261 1 . SER 62 62 16261 1 . VAL 63 63 16261 1 . TYR 64 64 16261 1 . PHE 65 65 16261 1 . THR 66 66 16261 1 . ASN 67 67 16261 1 . GLU 68 68 16261 1 . GLN 69 69 16261 1 . ILE 70 70 16261 1 . LYS 71 71 16261 1 . GLU 72 72 16261 1 . ILE 73 73 16261 1 . HIS 74 74 16261 1 . ASP 75 75 16261 1 . ALA 76 76 16261 1 . ALA 77 77 16261 1 . THR 78 78 16261 1 . ALA 79 79 16261 1 . CYS 80 80 16261 1 . ASP 81 81 16261 1 . PRO 82 82 16261 1 . GLU 83 83 16261 1 . ALA 84 84 16261 1 . HIS 85 85 16261 1 . HIS 86 86 16261 1 . GLU 87 87 16261 1 . HIS 88 88 16261 1 . ASP 89 89 16261 1 . HIS 90 90 16261 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16261 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Microplusin . 6941 organism . 'Rhipicephalus (Boophilus) microplus' 'southern cattle tick' . . Eukaryota Metazoa Rhipicephalus microplus . . . . . . . . . . . . . . . . . . . . . 16261 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16261 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Microplusin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . 'pRSET-A (Invitrogen)' . . . . . . 16261 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16261 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Phosphate buffer, 50mM NaCl, pH 5.6' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Microplusin 'natural abundance' . . 1 $Microplusin . . 0.95 . . mM . . . . 16261 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16261 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16261 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16261 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Phosphate buffer, 50mM NaCl, pH 5.6' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Microplusin 'natural abundance' . . 1 $Microplusin . . 0.95 . . mM . . . . 16261 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16261 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16261 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Phosphate buffer, 50mM NaCl, pH 5.6' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Microplusin [U-15N] . . 1 $Microplusin . . 0.52 . . mM . . . . 16261 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16261 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16261 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16261 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Phosphate buffer, 50mM NaCl, pH 5.6' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Microplusin '[U-13C; U-15N]' . . 1 $Microplusin . . 0.35 . . mM . . . . 16261 4 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16261 4 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16261 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 16261 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Phosphate buffer, 50mM NaCl, pH 5.6' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Microplusin '[U-13C; U-15N]' . . 1 $Microplusin . . 0.35 . . mM . . . . 16261 5 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16261 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16261 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 16261 1 pH 5.6 . pH 16261 1 pressure 1 . atm 16261 1 temperature 298 . K 16261 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16261 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16261 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16261 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16261 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16261 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16261 2 processing 16261 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16261 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16261 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16261 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 cryoprobe . . 16261 1 2 spectrometer_2 Bruker 'Avance III' . 800 . . . 16261 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16261 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16261 1 2 '2D 1H-13C HMQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16261 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16261 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16261 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16261 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16261 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16261 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16261 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16261 1 10 '3D HNCACB' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16261 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16261 1 12 '3D H(CCO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16261 1 13 '3D C(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16261 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16261 1 15 '3D HCCH-COSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16261 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16261 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 16261 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 16261 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 16261 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set _Assigned_chem_shift_list.Entry_ID 16261 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Derived from the file: /home/rezende/aria_calc/microplusin/13C_NOESY.microplusin.ppm' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16261 1 2 '2D 1H-13C HMQC' . . . 16261 1 3 '2D 1H-1H TOCSY' . . . 16261 1 4 '2D 1H-1H NOESY' . . . 16261 1 5 '2D 1H-1H TOCSY' . . . 16261 1 6 '2D 1H-1H NOESY' . . . 16261 1 7 '3D 1H-15N TOCSY' . . . 16261 1 8 '3D 1H-15N NOESY' . . . 16261 1 9 '3D CBCA(CO)NH' . . . 16261 1 10 '3D HNCACB' . . . 16261 1 11 '3D HBHA(CO)NH' . . . 16261 1 12 '3D H(CCO)NH' . . . 16261 1 13 '3D C(CO)NH' . . . 16261 1 14 '3D 1H-13C NOESY' . . . 16261 1 15 '3D HCCH-COSY' . . . 16261 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 HIS HA H 1 4.238 0.04 . 1 . . . . 1 HIS HA . 16261 1 2 . 1 1 1 1 HIS HB2 H 1 3.275 0.04 . 2 . . . . 1 HIS HB1 . 16261 1 3 . 1 1 1 1 HIS HD2 H 1 7.176 0.04 . 5 . . . . 1 HIS HD2 . 16261 1 4 . 1 1 1 1 HIS HE1 H 1 8.509 0.04 . 5 . . . . 1 HIS HE1 . 16261 1 5 . 1 1 1 1 HIS CA C 13 54.985 0.2 . 1 . . . . 1 HIS CA . 16261 1 6 . 1 1 1 1 HIS CB C 13 29.278 0.2 . 1 . . . . 1 HIS CB . 16261 1 7 . 1 1 1 1 HIS CD2 C 13 120.3 0.2 . 5 . . . . 1 HIS CD2 . 16261 1 8 . 1 1 1 1 HIS CE1 C 13 136.64 0.2 . 5 . . . . 1 HIS CE1 . 16261 1 9 . 1 1 2 2 HIS H H 1 8.902 0.04 . 1 . . . . 2 HIS H . 16261 1 10 . 1 1 2 2 HIS HA H 1 4.665 0.04 . 1 . . . . 2 HIS HA . 16261 1 11 . 1 1 2 2 HIS HB2 H 1 3.082 0.04 . 2 . . . . 2 HIS HB1 . 16261 1 12 . 1 1 2 2 HIS HD2 H 1 7.176 0.04 . 5 . . . . 2 HIS HD2 . 16261 1 13 . 1 1 2 2 HIS HE1 H 1 8.499 0.04 . 5 . . . . 2 HIS HE1 . 16261 1 14 . 1 1 2 2 HIS CA C 13 55.744 0.2 . 1 . . . . 2 HIS CA . 16261 1 15 . 1 1 2 2 HIS CB C 13 29.481 0.2 . 1 . . . . 2 HIS CB . 16261 1 16 . 1 1 2 2 HIS CD2 C 13 120.3 0.2 . 5 . . . . 2 HIS CD2 . 16261 1 17 . 1 1 2 2 HIS CE1 C 13 136.65 0.2 . 5 . . . . 2 HIS CE1 . 16261 1 18 . 1 1 2 2 HIS N N 15 122.16 0.2 . 1 . . . . 2 HIS N . 16261 1 19 . 1 1 3 3 GLN H H 1 8.624 0.04 . 1 . . . . 3 GLN H . 16261 1 20 . 1 1 3 3 GLN HA H 1 4.265 0.04 . 1 . . . . 3 GLN HA . 16261 1 21 . 1 1 3 3 GLN HB2 H 1 1.947 0.04 . 2 . . . . 3 GLN HB1 . 16261 1 22 . 1 1 3 3 GLN HE22 H 1 6.741 0.04 . 2 . . . . 3 GLN HE22 . 16261 1 23 . 1 1 3 3 GLN HG2 H 1 2.267 0.04 . 2 . . . . 3 GLN HG1 . 16261 1 24 . 1 1 3 3 GLN CA C 13 55.961 0.2 . 1 . . . . 3 GLN CA . 16261 1 25 . 1 1 3 3 GLN CB C 13 29.727 0.2 . 1 . . . . 3 GLN CB . 16261 1 26 . 1 1 3 3 GLN CG C 13 34.207 0.2 . 1 . . . . 3 GLN CG . 16261 1 27 . 1 1 3 3 GLN N N 15 123.71 0.2 . 1 . . . . 3 GLN N . 16261 1 28 . 1 1 3 3 GLN NE2 N 15 112.55 0.2 . 1 . . . . 3 GLN NE2 . 16261 1 29 . 1 1 4 4 GLU H H 1 8.499 0.04 . 1 . . . . 4 GLU H . 16261 1 30 . 1 1 4 4 GLU HA H 1 4.25 0.04 . 1 . . . . 4 GLU HA . 16261 1 31 . 1 1 4 4 GLU HB2 H 1 2 0.04 . 2 . . . . 4 GLU HB1 . 16261 1 32 . 1 1 4 4 GLU HG2 H 1 2.373 0.04 . 2 . . . . 4 GLU HG1 . 16261 1 33 . 1 1 4 4 GLU CA C 13 56.888 0.2 . 1 . . . . 4 GLU CA . 16261 1 34 . 1 1 4 4 GLU CB C 13 29.316 0.2 . 1 . . . . 4 GLU CB . 16261 1 35 . 1 1 4 4 GLU CG C 13 34.032 0.2 . 1 . . . . 4 GLU CG . 16261 1 36 . 1 1 4 4 GLU N N 15 123.16 0.2 . 1 . . . . 4 GLU N . 16261 1 37 . 1 1 5 5 LEU H H 1 8.464 0.04 . 1 . . . . 5 LEU H . 16261 1 38 . 1 1 5 5 LEU HA H 1 4.004 0.04 . 1 . . . . 5 LEU HA . 16261 1 39 . 1 1 5 5 LEU HB2 H 1 1.503 0.04 . 2 . . . . 5 LEU HB1 . 16261 1 40 . 1 1 5 5 LEU HD11 H 1 0.528 0.04 . 2 . . . . 5 LEU HD1 . 16261 1 41 . 1 1 5 5 LEU HD12 H 1 0.528 0.04 . 2 . . . . 5 LEU HD1 . 16261 1 42 . 1 1 5 5 LEU HD13 H 1 0.528 0.04 . 2 . . . . 5 LEU HD1 . 16261 1 43 . 1 1 5 5 LEU HD21 H 1 0.379 0.04 . 2 . . . . 5 LEU HD2 . 16261 1 44 . 1 1 5 5 LEU HD22 H 1 0.379 0.04 . 2 . . . . 5 LEU HD2 . 16261 1 45 . 1 1 5 5 LEU HD23 H 1 0.379 0.04 . 2 . . . . 5 LEU HD2 . 16261 1 46 . 1 1 5 5 LEU HG H 1 1.364 0.04 . 1 . . . . 5 LEU HG . 16261 1 47 . 1 1 5 5 LEU CD1 C 13 25.066 0.2 . 2 . . . . 5 LEU CD1 . 16261 1 48 . 1 1 5 5 LEU CD2 C 13 24.137 0.2 . 2 . . . . 5 LEU CD2 . 16261 1 49 . 1 1 5 5 LEU CG C 13 27.928 0.2 . 1 . . . . 5 LEU CG . 16261 1 50 . 1 1 5 5 LEU N N 15 123.07 0.2 . 1 . . . . 5 LEU N . 16261 1 51 . 1 1 6 6 CYS H H 1 7.98 0.04 . 1 . . . . 6 CYS H . 16261 1 52 . 1 1 6 6 CYS HA H 1 4.565 0.04 . 1 . . . . 6 CYS HA . 16261 1 53 . 1 1 6 6 CYS HB2 H 1 3.21 0.04 . 2 . . . . 6 CYS HB1 . 16261 1 54 . 1 1 6 6 CYS HB3 H 1 2.933 0.04 . 2 . . . . 6 CYS HB2 . 16261 1 55 . 1 1 6 6 CYS N N 15 113.54 0.2 . 1 . . . . 6 CYS N . 16261 1 56 . 1 1 7 7 THR H H 1 7.639 0.04 . 1 . . . . 7 THR H . 16261 1 57 . 1 1 7 7 THR HA H 1 4.344 0.04 . 1 . . . . 7 THR HA . 16261 1 58 . 1 1 7 7 THR HB H 1 4.376 0.04 . 1 . . . . 7 THR HB . 16261 1 59 . 1 1 7 7 THR HG21 H 1 1.075 0.04 . 2 . . . . 7 THR HG2 . 16261 1 60 . 1 1 7 7 THR HG22 H 1 1.075 0.04 . 2 . . . . 7 THR HG2 . 16261 1 61 . 1 1 7 7 THR HG23 H 1 1.075 0.04 . 2 . . . . 7 THR HG2 . 16261 1 62 . 1 1 7 7 THR CA C 13 61.772 0.2 . 1 . . . . 7 THR CA . 16261 1 63 . 1 1 7 7 THR CB C 13 69.825 0.2 . 1 . . . . 7 THR CB . 16261 1 64 . 1 1 7 7 THR CG2 C 13 22.1 0.2 . 1 . . . . 7 THR CG2 . 16261 1 65 . 1 1 7 7 THR N N 15 108.74 0.2 . 1 . . . . 7 THR N . 16261 1 66 . 1 1 8 8 LYS H H 1 7.38 0.04 . 1 . . . . 8 LYS H . 16261 1 67 . 1 1 8 8 LYS HA H 1 4.174 0.04 . 1 . . . . 8 LYS HA . 16261 1 68 . 1 1 8 8 LYS HB2 H 1 1.856 0.04 . 2 . . . . 8 LYS HB1 . 16261 1 69 . 1 1 8 8 LYS HB3 H 1 1.732 0.04 . 2 . . . . 8 LYS HB2 . 16261 1 70 . 1 1 8 8 LYS HD2 H 1 1.48 0.04 . 2 . . . . 8 LYS HD1 . 16261 1 71 . 1 1 8 8 LYS HG2 H 1 1.405 0.04 . 2 . . . . 8 LYS HG1 . 16261 1 72 . 1 1 8 8 LYS CA C 13 56.632 0.2 . 1 . . . . 8 LYS CA . 16261 1 73 . 1 1 8 8 LYS CB C 13 34.166 0.2 . 1 . . . . 8 LYS CB . 16261 1 74 . 1 1 8 8 LYS CG C 13 25.9 0.2 . 1 . . . . 8 LYS CG . 16261 1 75 . 1 1 8 8 LYS N N 15 122.5 0.2 . 1 . . . . 8 LYS N . 16261 1 76 . 1 1 9 9 GLY H H 1 8.554 0.04 . 1 . . . . 9 GLY H . 16261 1 77 . 1 1 9 9 GLY HA2 H 1 4.027 0.04 . 2 . . . . 9 GLY HA1 . 16261 1 78 . 1 1 9 9 GLY HA3 H 1 3.868 0.04 . 2 . . . . 9 GLY HA2 . 16261 1 79 . 1 1 9 9 GLY CA C 13 45.101 0.2 . 1 . . . . 9 GLY CA . 16261 1 80 . 1 1 9 9 GLY N N 15 108.96 0.2 . 1 . . . . 9 GLY N . 16261 1 81 . 1 1 10 10 ASP H H 1 8.455 0.04 . 1 . . . . 10 ASP H . 16261 1 82 . 1 1 10 10 ASP HA H 1 4.146 0.04 . 1 . . . . 10 ASP HA . 16261 1 83 . 1 1 10 10 ASP HB2 H 1 2.755 0.04 . 2 . . . . 10 ASP HB1 . 16261 1 84 . 1 1 10 10 ASP CA C 13 57.568 0.2 . 1 . . . . 10 ASP CA . 16261 1 85 . 1 1 10 10 ASP CB C 13 38.723 0.2 . 1 . . . . 10 ASP CB . 16261 1 86 . 1 1 10 10 ASP N N 15 118.55 0.2 . 1 . . . . 10 ASP N . 16261 1 87 . 1 1 11 11 ASP H H 1 8.538 0.04 . 1 . . . . 11 ASP H . 16261 1 88 . 1 1 11 11 ASP HA H 1 4.262 0.04 . 1 . . . . 11 ASP HA . 16261 1 89 . 1 1 11 11 ASP HB2 H 1 2.756 0.04 . 2 . . . . 11 ASP HB1 . 16261 1 90 . 1 1 11 11 ASP CA C 13 56.696 0.2 . 1 . . . . 11 ASP CA . 16261 1 91 . 1 1 11 11 ASP CB C 13 37.812 0.2 . 1 . . . . 11 ASP CB . 16261 1 92 . 1 1 11 11 ASP N N 15 118.15 0.2 . 1 . . . . 11 ASP N . 16261 1 93 . 1 1 12 12 ALA H H 1 7.935 0.04 . 1 . . . . 12 ALA H . 16261 1 94 . 1 1 12 12 ALA HA H 1 4.052 0.04 . 1 . . . . 12 ALA HA . 16261 1 95 . 1 1 12 12 ALA HB1 H 1 1.372 0.04 . 2 . . . . 12 ALA HB . 16261 1 96 . 1 1 12 12 ALA HB2 H 1 1.372 0.04 . 2 . . . . 12 ALA HB . 16261 1 97 . 1 1 12 12 ALA HB3 H 1 1.372 0.04 . 2 . . . . 12 ALA HB . 16261 1 98 . 1 1 12 12 ALA CA C 13 55.104 0.2 . 1 . . . . 12 ALA CA . 16261 1 99 . 1 1 12 12 ALA CB C 13 19.122 0.2 . 1 . . . . 12 ALA CB . 16261 1 100 . 1 1 12 12 ALA N N 15 123.88 0.2 . 1 . . . . 12 ALA N . 16261 1 101 . 1 1 13 13 LEU H H 1 8.367 0.04 . 1 . . . . 13 LEU H . 16261 1 102 . 1 1 13 13 LEU HA H 1 4.524 0.04 . 1 . . . . 13 LEU HA . 16261 1 103 . 1 1 13 13 LEU HB2 H 1 2.694 0.04 . 2 . . . . 13 LEU HB1 . 16261 1 104 . 1 1 13 13 LEU CA C 13 54.138 0.2 . 1 . . . . 13 LEU CA . 16261 1 105 . 1 1 13 13 LEU CB C 13 39.063 0.2 . 1 . . . . 13 LEU CB . 16261 1 106 . 1 1 13 13 LEU N N 15 120.8 0.2 . 1 . . . . 13 LEU N . 16261 1 107 . 1 1 14 14 VAL H H 1 8.127 0.04 . 1 . . . . 14 VAL H . 16261 1 108 . 1 1 14 14 VAL HA H 1 3.354 0.04 . 1 . . . . 14 VAL HA . 16261 1 109 . 1 1 14 14 VAL HB H 1 2.085 0.04 . 1 . . . . 14 VAL HB . 16261 1 110 . 1 1 14 14 VAL HG11 H 1 0.961 0.04 . 2 . . . . 14 VAL HG1 . 16261 1 111 . 1 1 14 14 VAL HG12 H 1 0.961 0.04 . 2 . . . . 14 VAL HG1 . 16261 1 112 . 1 1 14 14 VAL HG13 H 1 0.961 0.04 . 2 . . . . 14 VAL HG1 . 16261 1 113 . 1 1 14 14 VAL HG21 H 1 0.825 0.04 . 2 . . . . 14 VAL HG2 . 16261 1 114 . 1 1 14 14 VAL HG22 H 1 0.825 0.04 . 2 . . . . 14 VAL HG2 . 16261 1 115 . 1 1 14 14 VAL HG23 H 1 0.825 0.04 . 2 . . . . 14 VAL HG2 . 16261 1 116 . 1 1 14 14 VAL CA C 13 67.895 0.2 . 1 . . . . 14 VAL CA . 16261 1 117 . 1 1 14 14 VAL CB C 13 32.471 0.2 . 1 . . . . 14 VAL CB . 16261 1 118 . 1 1 14 14 VAL CG1 C 13 24.203 0.2 . 2 . . . . 14 VAL CG1 . 16261 1 119 . 1 1 14 14 VAL CG2 C 13 21.556 0.2 . 2 . . . . 14 VAL CG2 . 16261 1 120 . 1 1 14 14 VAL N N 15 121.29 0.2 . 1 . . . . 14 VAL N . 16261 1 121 . 1 1 15 15 THR H H 1 7.813 0.04 . 1 . . . . 15 THR H . 16261 1 122 . 1 1 15 15 THR HA H 1 3.824 0.04 . 1 . . . . 15 THR HA . 16261 1 123 . 1 1 15 15 THR HB H 1 4.091 0.04 . 1 . . . . 15 THR HB . 16261 1 124 . 1 1 15 15 THR HG21 H 1 1.153 0.04 . 2 . . . . 15 THR HG2 . 16261 1 125 . 1 1 15 15 THR HG22 H 1 1.153 0.04 . 2 . . . . 15 THR HG2 . 16261 1 126 . 1 1 15 15 THR HG23 H 1 1.153 0.04 . 2 . . . . 15 THR HG2 . 16261 1 127 . 1 1 15 15 THR CA C 13 66.838 0.2 . 1 . . . . 15 THR CA . 16261 1 128 . 1 1 15 15 THR CB C 13 69.152 0.2 . 1 . . . . 15 THR CB . 16261 1 129 . 1 1 15 15 THR CG2 C 13 22.119 0.2 . 1 . . . . 15 THR CG2 . 16261 1 130 . 1 1 15 15 THR N N 15 115.77 0.2 . 1 . . . . 15 THR N . 16261 1 131 . 1 1 16 16 GLU H H 1 8.201 0.04 . 1 . . . . 16 GLU H . 16261 1 132 . 1 1 16 16 GLU HA H 1 4.134 0.04 . 1 . . . . 16 GLU HA . 16261 1 133 . 1 1 16 16 GLU HB2 H 1 2.108 0.04 . 2 . . . . 16 GLU HB1 . 16261 1 134 . 1 1 16 16 GLU HB3 H 1 1.858 0.04 . 2 . . . . 16 GLU HB2 . 16261 1 135 . 1 1 16 16 GLU HG2 H 1 2.263 0.04 . 2 . . . . 16 GLU HG1 . 16261 1 136 . 1 1 16 16 GLU CA C 13 60.219 0.2 . 1 . . . . 16 GLU CA . 16261 1 137 . 1 1 16 16 GLU CB C 13 27.443 0.2 . 1 . . . . 16 GLU CB . 16261 1 138 . 1 1 16 16 GLU CG C 13 33.644 0.2 . 1 . . . . 16 GLU CG . 16261 1 139 . 1 1 16 16 GLU N N 15 123.33 0.2 . 1 . . . . 16 GLU N . 16261 1 140 . 1 1 17 17 LEU H H 1 8.637 0.04 . 1 . . . . 17 LEU H . 16261 1 141 . 1 1 17 17 LEU HA H 1 3.779 0.04 . 1 . . . . 17 LEU HA . 16261 1 142 . 1 1 17 17 LEU HB2 H 1 1.888 0.04 . 2 . . . . 17 LEU HB1 . 16261 1 143 . 1 1 17 17 LEU HB3 H 1 1.106 0.04 . 2 . . . . 17 LEU HB2 . 16261 1 144 . 1 1 17 17 LEU HG H 1 1.519 0.04 . 1 . . . . 17 LEU HG . 16261 1 145 . 1 1 17 17 LEU CA C 13 58.646 0.2 . 1 . . . . 17 LEU CA . 16261 1 146 . 1 1 17 17 LEU CB C 13 41.289 0.2 . 1 . . . . 17 LEU CB . 16261 1 147 . 1 1 17 17 LEU N N 15 119.35 0.2 . 1 . . . . 17 LEU N . 16261 1 148 . 1 1 18 18 GLU H H 1 7.903 0.04 . 1 . . . . 18 GLU H . 16261 1 149 . 1 1 18 18 GLU HA H 1 4.048 0.04 . 1 . . . . 18 GLU HA . 16261 1 150 . 1 1 18 18 GLU HB2 H 1 2.147 0.04 . 2 . . . . 18 GLU HB1 . 16261 1 151 . 1 1 18 18 GLU HB3 H 1 1.981 0.04 . 2 . . . . 18 GLU HB2 . 16261 1 152 . 1 1 18 18 GLU HG2 H 1 2.46 0.04 . 2 . . . . 18 GLU HG1 . 16261 1 153 . 1 1 18 18 GLU CA C 13 59.14 0.2 . 1 . . . . 18 GLU CA . 16261 1 154 . 1 1 18 18 GLU CB C 13 27.587 0.2 . 1 . . . . 18 GLU CB . 16261 1 155 . 1 1 18 18 GLU CG C 13 33.614 0.2 . 1 . . . . 18 GLU CG . 16261 1 156 . 1 1 18 18 GLU N N 15 122.73 0.2 . 1 . . . . 18 GLU N . 16261 1 157 . 1 1 19 19 CYS H H 1 7.231 0.04 . 1 . . . . 19 CYS H . 16261 1 158 . 1 1 19 19 CYS HA H 1 4.135 0.04 . 1 . . . . 19 CYS HA . 16261 1 159 . 1 1 19 19 CYS HB2 H 1 3.377 0.04 . 2 . . . . 19 CYS HB1 . 16261 1 160 . 1 1 19 19 CYS HB3 H 1 3.2 0.04 . 2 . . . . 19 CYS HB2 . 16261 1 161 . 1 1 19 19 CYS CA C 13 60.041 0.2 . 1 . . . . 19 CYS CA . 16261 1 162 . 1 1 19 19 CYS CB C 13 39.419 0.2 . 1 . . . . 19 CYS CB . 16261 1 163 . 1 1 19 19 CYS N N 15 120.23 0.2 . 1 . . . . 19 CYS N . 16261 1 164 . 1 1 20 20 ILE H H 1 8.433 0.04 . 1 . . . . 20 ILE H . 16261 1 165 . 1 1 20 20 ILE HA H 1 3.288 0.04 . 1 . . . . 20 ILE HA . 16261 1 166 . 1 1 20 20 ILE HB H 1 1.742 0.04 . 1 . . . . 20 ILE HB . 16261 1 167 . 1 1 20 20 ILE HD11 H 1 0.522 0.04 . 2 . . . . 20 ILE HD1 . 16261 1 168 . 1 1 20 20 ILE HD12 H 1 0.522 0.04 . 2 . . . . 20 ILE HD1 . 16261 1 169 . 1 1 20 20 ILE HD13 H 1 0.522 0.04 . 2 . . . . 20 ILE HD1 . 16261 1 170 . 1 1 20 20 ILE HG12 H 1 1.527 0.04 . 2 . . . . 20 ILE HG11 . 16261 1 171 . 1 1 20 20 ILE HG21 H 1 0.778 0.04 . 2 . . . . 20 ILE HG2 . 16261 1 172 . 1 1 20 20 ILE HG22 H 1 0.778 0.04 . 2 . . . . 20 ILE HG2 . 16261 1 173 . 1 1 20 20 ILE HG23 H 1 0.778 0.04 . 2 . . . . 20 ILE HG2 . 16261 1 174 . 1 1 20 20 ILE CA C 13 66.135 0.2 . 1 . . . . 20 ILE CA . 16261 1 175 . 1 1 20 20 ILE CB C 13 39.423 0.2 . 1 . . . . 20 ILE CB . 16261 1 176 . 1 1 20 20 ILE CD1 C 13 14.80 0.2 . 1 . . . . 20 ILE CD1 . 16261 1 177 . 1 1 20 20 ILE CG1 C 13 27.782 0.2 . 1 . . . . 20 ILE CG1 . 16261 1 178 . 1 1 20 20 ILE CG2 C 13 16.956 0.2 . 1 . . . . 20 ILE CG2 . 16261 1 179 . 1 1 20 20 ILE N N 15 122.03 0.2 . 1 . . . . 20 ILE N . 16261 1 180 . 1 1 21 21 ARG H H 1 7.644 0.04 . 1 . . . . 21 ARG H . 16261 1 181 . 1 1 21 21 ARG HA H 1 3.823 0.04 . 1 . . . . 21 ARG HA . 16261 1 182 . 1 1 21 21 ARG HB2 H 1 1.887 0.04 . 2 . . . . 21 ARG HB1 . 16261 1 183 . 1 1 21 21 ARG CA C 13 59.557 0.2 . 1 . . . . 21 ARG CA . 16261 1 184 . 1 1 21 21 ARG CB C 13 30.68 0.2 . 1 . . . . 21 ARG CB . 16261 1 185 . 1 1 21 21 ARG CD C 13 44.076 0.2 . 1 . . . . 21 ARG CD . 16261 1 186 . 1 1 21 21 ARG CG C 13 26.371 0.2 . 1 . . . . 21 ARG CG . 16261 1 187 . 1 1 21 21 ARG N N 15 119.33 0.2 . 1 . . . . 21 ARG N . 16261 1 188 . 1 1 22 22 LEU H H 1 6.877 0.04 . 1 . . . . 22 LEU H . 16261 1 189 . 1 1 22 22 LEU HA H 1 4.111 0.04 . 1 . . . . 22 LEU HA . 16261 1 190 . 1 1 22 22 LEU HB2 H 1 1.81 0.04 . 2 . . . . 22 LEU HB1 . 16261 1 191 . 1 1 22 22 LEU HB3 H 1 1.561 0.04 . 2 . . . . 22 LEU HB2 . 16261 1 192 . 1 1 22 22 LEU HD11 H 1 0.855 0.04 . 2 . . . . 22 LEU HD1 . 16261 1 193 . 1 1 22 22 LEU HD12 H 1 0.855 0.04 . 2 . . . . 22 LEU HD1 . 16261 1 194 . 1 1 22 22 LEU HD13 H 1 0.855 0.04 . 2 . . . . 22 LEU HD1 . 16261 1 195 . 1 1 22 22 LEU HD21 H 1 0.774 0.04 . 2 . . . . 22 LEU HD2 . 16261 1 196 . 1 1 22 22 LEU HD22 H 1 0.774 0.04 . 2 . . . . 22 LEU HD2 . 16261 1 197 . 1 1 22 22 LEU HD23 H 1 0.774 0.04 . 2 . . . . 22 LEU HD2 . 16261 1 198 . 1 1 22 22 LEU HG H 1 1.769 0.04 . 1 . . . . 22 LEU HG . 16261 1 199 . 1 1 22 22 LEU CA C 13 56.458 0.2 . 1 . . . . 22 LEU CA . 16261 1 200 . 1 1 22 22 LEU CB C 13 42.824 0.2 . 1 . . . . 22 LEU CB . 16261 1 201 . 1 1 22 22 LEU CD1 C 13 26.116 0.2 . 2 . . . . 22 LEU CD1 . 16261 1 202 . 1 1 22 22 LEU CD2 C 13 23.076 0.2 . 2 . . . . 22 LEU CD2 . 16261 1 203 . 1 1 22 22 LEU CG C 13 27.665 0.2 . 1 . . . . 22 LEU CG . 16261 1 204 . 1 1 22 22 LEU N N 15 114.78 0.2 . 1 . . . . 22 LEU N . 16261 1 205 . 1 1 23 23 ARG H H 1 7.57 0.04 . 1 . . . . 23 ARG H . 16261 1 206 . 1 1 23 23 ARG HA H 1 4.384 0.04 . 1 . . . . 23 ARG HA . 16261 1 207 . 1 1 23 23 ARG HB2 H 1 1.955 0.04 . 2 . . . . 23 ARG HB1 . 16261 1 208 . 1 1 23 23 ARG HB3 H 1 1.568 0.04 . 2 . . . . 23 ARG HB2 . 16261 1 209 . 1 1 23 23 ARG HD2 H 1 3.046 0.04 . 2 . . . . 23 ARG HD1 . 16261 1 210 . 1 1 23 23 ARG HG2 H 1 1.561 0.04 . 2 . . . . 23 ARG HG1 . 16261 1 211 . 1 1 23 23 ARG HH11 H 1 6.968 0.04 . 1 . . . . 23 ARG HH11 . 16261 1 212 . 1 1 23 23 ARG CA C 13 56.733 0.2 . 1 . . . . 23 ARG CA . 16261 1 213 . 1 1 23 23 ARG CB C 13 33.16 0.2 . 1 . . . . 23 ARG CB . 16261 1 214 . 1 1 23 23 ARG CD C 13 43.685 0.2 . 1 . . . . 23 ARG CD . 16261 1 215 . 1 1 23 23 ARG CG C 13 28.426 0.2 . 1 . . . . 23 ARG CG . 16261 1 216 . 1 1 23 23 ARG N N 15 117.1 0.2 . 1 . . . . 23 ARG N . 16261 1 217 . 1 1 23 23 ARG NH1 N 15 73.84 0.2 . 1 . . . . 23 ARG NH1 . 16261 1 218 . 1 1 24 24 ILE H H 1 7.041 0.04 . 1 . . . . 24 ILE H . 16261 1 219 . 1 1 24 24 ILE HA H 1 4.653 0.04 . 1 . . . . 24 ILE HA . 16261 1 220 . 1 1 24 24 ILE HB H 1 2.042 0.04 . 1 . . . . 24 ILE HB . 16261 1 221 . 1 1 24 24 ILE HD11 H 1 0.618 0.04 . 2 . . . . 24 ILE HD1 . 16261 1 222 . 1 1 24 24 ILE HD12 H 1 0.618 0.04 . 2 . . . . 24 ILE HD1 . 16261 1 223 . 1 1 24 24 ILE HD13 H 1 0.618 0.04 . 2 . . . . 24 ILE HD1 . 16261 1 224 . 1 1 24 24 ILE HG12 H 1 1.449 0.04 . 2 . . . . 24 ILE HG11 . 16261 1 225 . 1 1 24 24 ILE HG13 H 1 1.378 0.04 . 2 . . . . 24 ILE HG12 . 16261 1 226 . 1 1 24 24 ILE HG21 H 1 0.747 0.04 . 2 . . . . 24 ILE HG2 . 16261 1 227 . 1 1 24 24 ILE HG22 H 1 0.747 0.04 . 2 . . . . 24 ILE HG2 . 16261 1 228 . 1 1 24 24 ILE HG23 H 1 0.747 0.04 . 2 . . . . 24 ILE HG2 . 16261 1 229 . 1 1 24 24 ILE CA C 13 60.889 0.2 . 1 . . . . 24 ILE CA . 16261 1 230 . 1 1 24 24 ILE CB C 13 40.48 0.2 . 1 . . . . 24 ILE CB . 16261 1 231 . 1 1 24 24 ILE CD1 C 13 13.85 0.2 . 1 . . . . 24 ILE CD1 . 16261 1 232 . 1 1 24 24 ILE CG1 C 13 24.412 0.2 . 1 . . . . 24 ILE CG1 . 16261 1 233 . 1 1 24 24 ILE CG2 C 13 18.63 0.2 . 1 . . . . 24 ILE CG2 . 16261 1 234 . 1 1 24 24 ILE N N 15 112.51 0.2 . 1 . . . . 24 ILE N . 16261 1 235 . 1 1 25 25 SER H H 1 8.441 0.04 . 1 . . . . 25 SER H . 16261 1 236 . 1 1 25 25 SER HA H 1 4.572 0.04 . 1 . . . . 25 SER HA . 16261 1 237 . 1 1 25 25 SER HB2 H 1 4.395 0.04 . 2 . . . . 25 SER HB1 . 16261 1 238 . 1 1 25 25 SER HB3 H 1 4.199 0.04 . 2 . . . . 25 SER HB2 . 16261 1 239 . 1 1 25 25 SER CA C 13 58.047 0.2 . 1 . . . . 25 SER CA . 16261 1 240 . 1 1 25 25 SER CB C 13 63.703 0.2 . 1 . . . . 25 SER CB . 16261 1 241 . 1 1 25 25 SER N N 15 116.82 0.2 . 1 . . . . 25 SER N . 16261 1 242 . 1 1 26 26 PRO HA H 1 4.457 0.04 . 1 . . . . 26 PRO HA . 16261 1 243 . 1 1 26 26 PRO HB2 H 1 2.395 0.04 . 2 . . . . 26 PRO HB1 . 16261 1 244 . 1 1 26 26 PRO HB3 H 1 1.935 0.04 . 2 . . . . 26 PRO HB2 . 16261 1 245 . 1 1 26 26 PRO HD2 H 1 3.808 0.04 . 2 . . . . 26 PRO HD1 . 16261 1 246 . 1 1 26 26 PRO HD3 H 1 3.74 0.04 . 2 . . . . 26 PRO HD2 . 16261 1 247 . 1 1 26 26 PRO HG2 H 1 1.96 0.04 . 2 . . . . 26 PRO HG1 . 16261 1 248 . 1 1 26 26 PRO CA C 13 66.703 0.2 . 1 . . . . 26 PRO CA . 16261 1 249 . 1 1 26 26 PRO CB C 13 32.374 0.2 . 1 . . . . 26 PRO CB . 16261 1 250 . 1 1 26 26 PRO CD C 13 51.55 0.2 . 1 . . . . 26 PRO CD . 16261 1 251 . 1 1 26 26 PRO CG C 13 28.295 0.2 . 1 . . . . 26 PRO CG . 16261 1 252 . 1 1 27 27 GLU H H 1 8.543 0.04 . 1 . . . . 27 GLU H . 16261 1 253 . 1 1 27 27 GLU HA H 1 4.17 0.04 . 1 . . . . 27 GLU HA . 16261 1 254 . 1 1 27 27 GLU HB2 H 1 2.132 0.04 . 2 . . . . 27 GLU HB1 . 16261 1 255 . 1 1 27 27 GLU HB3 H 1 1.99 0.04 . 2 . . . . 27 GLU HB2 . 16261 1 256 . 1 1 27 27 GLU HG2 H 1 2.562 0.04 . 2 . . . . 27 GLU HG1 . 16261 1 257 . 1 1 27 27 GLU CA C 13 60.003 0.2 . 1 . . . . 27 GLU CA . 16261 1 258 . 1 1 27 27 GLU CB C 13 27.944 0.2 . 1 . . . . 27 GLU CB . 16261 1 259 . 1 1 27 27 GLU CG C 13 34.463 0.2 . 1 . . . . 27 GLU CG . 16261 1 260 . 1 1 27 27 GLU N N 15 117.75 0.2 . 1 . . . . 27 GLU N . 16261 1 261 . 1 1 28 28 THR H H 1 8.099 0.04 . 1 . . . . 28 THR H . 16261 1 262 . 1 1 28 28 THR HA H 1 4.178 0.04 . 1 . . . . 28 THR HA . 16261 1 263 . 1 1 28 28 THR HB H 1 3.958 0.04 . 1 . . . . 28 THR HB . 16261 1 264 . 1 1 28 28 THR HG21 H 1 1.171 0.04 . 2 . . . . 28 THR HG2 . 16261 1 265 . 1 1 28 28 THR HG22 H 1 1.171 0.04 . 2 . . . . 28 THR HG2 . 16261 1 266 . 1 1 28 28 THR HG23 H 1 1.171 0.04 . 2 . . . . 28 THR HG2 . 16261 1 267 . 1 1 28 28 THR CA C 13 67.201 0.2 . 1 . . . . 28 THR CA . 16261 1 268 . 1 1 28 28 THR CB C 13 67.314 0.2 . 1 . . . . 28 THR CB . 16261 1 269 . 1 1 28 28 THR CG2 C 13 25.501 0.2 . 1 . . . . 28 THR CG2 . 16261 1 270 . 1 1 28 28 THR N N 15 122.04 0.2 . 1 . . . . 28 THR N . 16261 1 271 . 1 1 29 29 ASN H H 1 8.621 0.04 . 1 . . . . 29 ASN H . 16261 1 272 . 1 1 29 29 ASN HA H 1 4.522 0.04 . 1 . . . . 29 ASN HA . 16261 1 273 . 1 1 29 29 ASN HB2 H 1 2.807 0.04 . 2 . . . . 29 ASN HB1 . 16261 1 274 . 1 1 29 29 ASN HD21 H 1 7.408 0.04 . 2 . . . . 29 ASN HD21 . 16261 1 275 . 1 1 29 29 ASN HD22 H 1 6.816 0.04 . 2 . . . . 29 ASN HD22 . 16261 1 276 . 1 1 29 29 ASN CA C 13 58.319 0.2 . 1 . . . . 29 ASN CA . 16261 1 277 . 1 1 29 29 ASN CB C 13 39.553 0.2 . 1 . . . . 29 ASN CB . 16261 1 278 . 1 1 29 29 ASN N N 15 122.85 0.2 . 1 . . . . 29 ASN N . 16261 1 279 . 1 1 29 29 ASN ND2 N 15 117.46 0.2 . 1 . . . . 29 ASN ND2 . 16261 1 280 . 1 1 30 30 ALA H H 1 8.185 0.04 . 1 . . . . 30 ALA H . 16261 1 281 . 1 1 30 30 ALA HA H 1 4.141 0.04 . 1 . . . . 30 ALA HA . 16261 1 282 . 1 1 30 30 ALA HB1 H 1 1.465 0.04 . 2 . . . . 30 ALA HB . 16261 1 283 . 1 1 30 30 ALA HB2 H 1 1.465 0.04 . 2 . . . . 30 ALA HB . 16261 1 284 . 1 1 30 30 ALA HB3 H 1 1.465 0.04 . 2 . . . . 30 ALA HB . 16261 1 285 . 1 1 30 30 ALA CA C 13 55.716 0.2 . 1 . . . . 30 ALA CA . 16261 1 286 . 1 1 30 30 ALA CB C 13 17.815 0.2 . 1 . . . . 30 ALA CB . 16261 1 287 . 1 1 30 30 ALA N N 15 123.33 0.2 . 1 . . . . 30 ALA N . 16261 1 288 . 1 1 31 31 ALA H H 1 7.852 0.04 . 1 . . . . 31 ALA H . 16261 1 289 . 1 1 31 31 ALA HA H 1 4.182 0.04 . 1 . . . . 31 ALA HA . 16261 1 290 . 1 1 31 31 ALA HB1 H 1 1.555 0.04 . 2 . . . . 31 ALA HB . 16261 1 291 . 1 1 31 31 ALA HB2 H 1 1.555 0.04 . 2 . . . . 31 ALA HB . 16261 1 292 . 1 1 31 31 ALA HB3 H 1 1.555 0.04 . 2 . . . . 31 ALA HB . 16261 1 293 . 1 1 31 31 ALA CA C 13 55.395 0.2 . 1 . . . . 31 ALA CA . 16261 1 294 . 1 1 31 31 ALA CB C 13 18.712 0.2 . 1 . . . . 31 ALA CB . 16261 1 295 . 1 1 31 31 ALA N N 15 122.92 0.2 . 1 . . . . 31 ALA N . 16261 1 296 . 1 1 32 32 PHE H H 1 8.497 0.04 . 1 . . . . 32 PHE H . 16261 1 297 . 1 1 32 32 PHE HA H 1 4.3 0.04 . 1 . . . . 32 PHE HA . 16261 1 298 . 1 1 32 32 PHE HB2 H 1 3.518 0.04 . 2 . . . . 32 PHE HB1 . 16261 1 299 . 1 1 32 32 PHE HB3 H 1 3.268 0.04 . 2 . . . . 32 PHE HB2 . 16261 1 300 . 1 1 32 32 PHE HD1 H 1 7.3 0.04 . 3 . . . . 32 PHE HD1 . 16261 1 301 . 1 1 32 32 PHE HE1 H 1 5.632 0.04 . 3 . . . . 32 PHE HE1 . 16261 1 302 . 1 1 32 32 PHE HZ H 1 6.656 0.04 . 1 . . . . 32 PHE HZ . 16261 1 303 . 1 1 32 32 PHE CA C 13 59.972 0.2 . 1 . . . . 32 PHE CA . 16261 1 304 . 1 1 32 32 PHE CB C 13 39.152 0.2 . 1 . . . . 32 PHE CB . 16261 1 305 . 1 1 32 32 PHE CD1 C 13 131.52 0.2 . 3 . . . . 32 PHE CD1 . 16261 1 306 . 1 1 32 32 PHE CE1 C 13 128.36 0.2 . 3 . . . . 32 PHE CE1 . 16261 1 307 . 1 1 32 32 PHE CZ C 13 130 0.2 . 1 . . . . 32 PHE CZ . 16261 1 308 . 1 1 32 32 PHE N N 15 123.98 0.2 . 1 . . . . 32 PHE N . 16261 1 309 . 1 1 33 33 ASP H H 1 8.38 0.04 . 1 . . . . 33 ASP H . 16261 1 310 . 1 1 33 33 ASP HA H 1 4.298 0.04 . 1 . . . . 33 ASP HA . 16261 1 311 . 1 1 33 33 ASP HB2 H 1 2.974 0.04 . 2 . . . . 33 ASP HB1 . 16261 1 312 . 1 1 33 33 ASP HB3 H 1 2.795 0.04 . 2 . . . . 33 ASP HB2 . 16261 1 313 . 1 1 33 33 ASP CA C 13 57.394 0.2 . 1 . . . . 33 ASP CA . 16261 1 314 . 1 1 33 33 ASP CB C 13 38.38 0.2 . 1 . . . . 33 ASP CB . 16261 1 315 . 1 1 33 33 ASP N N 15 119.64 0.2 . 1 . . . . 33 ASP N . 16261 1 316 . 1 1 34 34 ASN H H 1 7.854 0.04 . 1 . . . . 34 ASN H . 16261 1 317 . 1 1 34 34 ASN HA H 1 4.41 0.04 . 1 . . . . 34 ASN HA . 16261 1 318 . 1 1 34 34 ASN HB2 H 1 2.76 0.04 . 2 . . . . 34 ASN HB1 . 16261 1 319 . 1 1 34 34 ASN HD21 H 1 7.898 0.04 . 2 . . . . 34 ASN HD21 . 16261 1 320 . 1 1 34 34 ASN HD22 H 1 6.989 0.04 . 2 . . . . 34 ASN HD22 . 16261 1 321 . 1 1 34 34 ASN CA C 13 56.974 0.2 . 1 . . . . 34 ASN CA . 16261 1 322 . 1 1 34 34 ASN CB C 13 38.74 0.2 . 1 . . . . 34 ASN CB . 16261 1 323 . 1 1 34 34 ASN N N 15 119.71 0.2 . 1 . . . . 34 ASN N . 16261 1 324 . 1 1 34 34 ASN ND2 N 15 114.46 0.2 . 1 . . . . 34 ASN ND2 . 16261 1 325 . 1 1 35 35 ALA H H 1 7.743 0.04 . 1 . . . . 35 ALA H . 16261 1 326 . 1 1 35 35 ALA HA H 1 2.999 0.04 . 1 . . . . 35 ALA HA . 16261 1 327 . 1 1 35 35 ALA HB1 H 1 0.758 0.04 . 2 . . . . 35 ALA HB . 16261 1 328 . 1 1 35 35 ALA HB2 H 1 0.758 0.04 . 2 . . . . 35 ALA HB . 16261 1 329 . 1 1 35 35 ALA HB3 H 1 0.758 0.04 . 2 . . . . 35 ALA HB . 16261 1 330 . 1 1 35 35 ALA CA C 13 55.881 0.2 . 1 . . . . 35 ALA CA . 16261 1 331 . 1 1 35 35 ALA CB C 13 17.36 0.2 . 1 . . . . 35 ALA CB . 16261 1 332 . 1 1 35 35 ALA N N 15 123.52 0.2 . 1 . . . . 35 ALA N . 16261 1 333 . 1 1 36 36 VAL H H 1 7.802 0.04 . 1 . . . . 36 VAL H . 16261 1 334 . 1 1 36 36 VAL HA H 1 2.973 0.04 . 1 . . . . 36 VAL HA . 16261 1 335 . 1 1 36 36 VAL HB H 1 2.187 0.04 . 1 . . . . 36 VAL HB . 16261 1 336 . 1 1 36 36 VAL HG11 H 1 0.963 0.04 . 2 . . . . 36 VAL HG1 . 16261 1 337 . 1 1 36 36 VAL HG12 H 1 0.963 0.04 . 2 . . . . 36 VAL HG1 . 16261 1 338 . 1 1 36 36 VAL HG13 H 1 0.963 0.04 . 2 . . . . 36 VAL HG1 . 16261 1 339 . 1 1 36 36 VAL HG21 H 1 0.467 0.04 . 2 . . . . 36 VAL HG2 . 16261 1 340 . 1 1 36 36 VAL HG22 H 1 0.467 0.04 . 2 . . . . 36 VAL HG2 . 16261 1 341 . 1 1 36 36 VAL HG23 H 1 0.467 0.04 . 2 . . . . 36 VAL HG2 . 16261 1 342 . 1 1 36 36 VAL CA C 13 67.829 0.2 . 1 . . . . 36 VAL CA . 16261 1 343 . 1 1 36 36 VAL CB C 13 32.41 0.2 . 1 . . . . 36 VAL CB . 16261 1 344 . 1 1 36 36 VAL CG1 C 13 23.831 0.2 . 2 . . . . 36 VAL CG1 . 16261 1 345 . 1 1 36 36 VAL CG2 C 13 22.156 0.2 . 2 . . . . 36 VAL CG2 . 16261 1 346 . 1 1 36 36 VAL N N 15 115.43 0.2 . 1 . . . . 36 VAL N . 16261 1 347 . 1 1 37 37 GLN H H 1 7.027 0.04 . 1 . . . . 37 GLN H . 16261 1 348 . 1 1 37 37 GLN HA H 1 4.093 0.04 . 1 . . . . 37 GLN HA . 16261 1 349 . 1 1 37 37 GLN HB2 H 1 2.119 0.04 . 2 . . . . 37 GLN HB1 . 16261 1 350 . 1 1 37 37 GLN HE21 H 1 7.318 0.04 . 2 . . . . 37 GLN HE21 . 16261 1 351 . 1 1 37 37 GLN HE22 H 1 6.691 0.04 . 2 . . . . 37 GLN HE22 . 16261 1 352 . 1 1 37 37 GLN HG2 H 1 2.354 0.04 . 2 . . . . 37 GLN HG1 . 16261 1 353 . 1 1 37 37 GLN CA C 13 59.039 0.2 . 1 . . . . 37 GLN CA . 16261 1 354 . 1 1 37 37 GLN CB C 13 28.91 0.2 . 1 . . . . 37 GLN CB . 16261 1 355 . 1 1 37 37 GLN CG C 13 34.03 0.2 . 1 . . . . 37 GLN CG . 16261 1 356 . 1 1 37 37 GLN N N 15 116.14 0.2 . 1 . . . . 37 GLN N . 16261 1 357 . 1 1 37 37 GLN NE2 N 15 112 0.2 . 1 . . . . 37 GLN NE2 . 16261 1 358 . 1 1 38 38 GLN H H 1 8.443 0.04 . 1 . . . . 38 GLN H . 16261 1 359 . 1 1 38 38 GLN HA H 1 3.939 0.04 . 1 . . . . 38 GLN HA . 16261 1 360 . 1 1 38 38 GLN HB2 H 1 2.223 0.04 . 2 . . . . 38 GLN HB1 . 16261 1 361 . 1 1 38 38 GLN HB3 H 1 1.813 0.04 . 2 . . . . 38 GLN HB2 . 16261 1 362 . 1 1 38 38 GLN HE21 H 1 7.346 0.04 . 2 . . . . 38 GLN HE21 . 16261 1 363 . 1 1 38 38 GLN HE22 H 1 6.754 0.04 . 2 . . . . 38 GLN HE22 . 16261 1 364 . 1 1 38 38 GLN HG2 H 1 2.454 0.04 . 2 . . . . 38 GLN HG1 . 16261 1 365 . 1 1 38 38 GLN CA C 13 58.748 0.2 . 1 . . . . 38 GLN CA . 16261 1 366 . 1 1 38 38 GLN CB C 13 28.854 0.2 . 1 . . . . 38 GLN CB . 16261 1 367 . 1 1 38 38 GLN CG C 13 34.188 0.2 . 1 . . . . 38 GLN CG . 16261 1 368 . 1 1 38 38 GLN N N 15 120.08 0.2 . 1 . . . . 38 GLN N . 16261 1 369 . 1 1 38 38 GLN NE2 N 15 112.84 0.2 . 1 . . . . 38 GLN NE2 . 16261 1 370 . 1 1 39 39 LEU H H 1 7.565 0.04 . 1 . . . . 39 LEU H . 16261 1 371 . 1 1 39 39 LEU HA H 1 4.199 0.04 . 1 . . . . 39 LEU HA . 16261 1 372 . 1 1 39 39 LEU HB2 H 1 1.48 0.04 . 2 . . . . 39 LEU HB1 . 16261 1 373 . 1 1 39 39 LEU HD11 H 1 0.821 0.04 . 2 . . . . 39 LEU HD1 . 16261 1 374 . 1 1 39 39 LEU HD12 H 1 0.821 0.04 . 2 . . . . 39 LEU HD1 . 16261 1 375 . 1 1 39 39 LEU HD13 H 1 0.821 0.04 . 2 . . . . 39 LEU HD1 . 16261 1 376 . 1 1 39 39 LEU HD21 H 1 0.63 0.04 . 2 . . . . 39 LEU HD2 . 16261 1 377 . 1 1 39 39 LEU HD22 H 1 0.63 0.04 . 2 . . . . 39 LEU HD2 . 16261 1 378 . 1 1 39 39 LEU HD23 H 1 0.63 0.04 . 2 . . . . 39 LEU HD2 . 16261 1 379 . 1 1 39 39 LEU HG H 1 1.43 0.04 . 1 . . . . 39 LEU HG . 16261 1 380 . 1 1 39 39 LEU CA C 13 54.901 0.2 . 1 . . . . 39 LEU CA . 16261 1 381 . 1 1 39 39 LEU CB C 13 42.208 0.2 . 1 . . . . 39 LEU CB . 16261 1 382 . 1 1 39 39 LEU CD2 C 13 26.879 0.2 . 2 . . . . 39 LEU CD2 . 16261 1 383 . 1 1 39 39 LEU N N 15 117.93 0.2 . 1 . . . . 39 LEU N . 16261 1 384 . 1 1 40 40 ASN H H 1 7.976 0.04 . 1 . . . . 40 ASN H . 16261 1 385 . 1 1 40 40 ASN HA H 1 4.313 0.04 . 1 . . . . 40 ASN HA . 16261 1 386 . 1 1 40 40 ASN HB2 H 1 2.612 0.04 . 2 . . . . 40 ASN HB1 . 16261 1 387 . 1 1 40 40 ASN HD21 H 1 7.325 0.04 . 2 . . . . 40 ASN HD21 . 16261 1 388 . 1 1 40 40 ASN HD22 H 1 6.689 0.04 . 2 . . . . 40 ASN HD22 . 16261 1 389 . 1 1 40 40 ASN CA C 13 54.625 0.2 . 1 . . . . 40 ASN CA . 16261 1 390 . 1 1 40 40 ASN CB C 13 36.903 0.2 . 1 . . . . 40 ASN CB . 16261 1 391 . 1 1 40 40 ASN N N 15 118.78 0.2 . 1 . . . . 40 ASN N . 16261 1 392 . 1 1 40 40 ASN ND2 N 15 112.27 0.2 . 1 . . . . 40 ASN ND2 . 16261 1 393 . 1 1 41 41 CYS H H 1 7.833 0.04 . 1 . . . . 41 CYS H . 16261 1 394 . 1 1 41 41 CYS HA H 1 4.888 0.04 . 1 . . . . 41 CYS HA . 16261 1 395 . 1 1 41 41 CYS HB2 H 1 3.282 0.04 . 2 . . . . 41 CYS HB1 . 16261 1 396 . 1 1 41 41 CYS HB3 H 1 2.923 0.04 . 2 . . . . 41 CYS HB2 . 16261 1 397 . 1 1 41 41 CYS CA C 13 55.148 0.2 . 1 . . . . 41 CYS CA . 16261 1 398 . 1 1 41 41 CYS CB C 13 42.078 0.2 . 1 . . . . 41 CYS CB . 16261 1 399 . 1 1 41 41 CYS N N 15 115.6 0.2 . 1 . . . . 41 CYS N . 16261 1 400 . 1 1 42 42 LEU H H 1 8.371 0.04 . 1 . . . . 42 LEU H . 16261 1 401 . 1 1 42 42 LEU HA H 1 4.34 0.04 . 1 . . . . 42 LEU HA . 16261 1 402 . 1 1 42 42 LEU HB2 H 1 1.528 0.04 . 2 . . . . 42 LEU HB1 . 16261 1 403 . 1 1 42 42 LEU HD11 H 1 0.81 0.04 . 2 . . . . 42 LEU HD1 . 16261 1 404 . 1 1 42 42 LEU HD12 H 1 0.81 0.04 . 2 . . . . 42 LEU HD1 . 16261 1 405 . 1 1 42 42 LEU HD13 H 1 0.81 0.04 . 2 . . . . 42 LEU HD1 . 16261 1 406 . 1 1 42 42 LEU HD21 H 1 0.762 0.04 . 2 . . . . 42 LEU HD2 . 16261 1 407 . 1 1 42 42 LEU HD22 H 1 0.762 0.04 . 2 . . . . 42 LEU HD2 . 16261 1 408 . 1 1 42 42 LEU HD23 H 1 0.762 0.04 . 2 . . . . 42 LEU HD2 . 16261 1 409 . 1 1 42 42 LEU HG H 1 1.521 0.04 . 1 . . . . 42 LEU HG . 16261 1 410 . 1 1 42 42 LEU CA C 13 55.342 0.2 . 1 . . . . 42 LEU CA . 16261 1 411 . 1 1 42 42 LEU CB C 13 43.358 0.2 . 1 . . . . 42 LEU CB . 16261 1 412 . 1 1 42 42 LEU CD1 C 13 25.472 0.2 . 2 . . . . 42 LEU CD1 . 16261 1 413 . 1 1 42 42 LEU CD2 C 13 23.796 0.2 . 2 . . . . 42 LEU CD2 . 16261 1 414 . 1 1 42 42 LEU CG C 13 27.643 0.2 . 1 . . . . 42 LEU CG . 16261 1 415 . 1 1 42 42 LEU N N 15 116.77 0.2 . 1 . . . . 42 LEU N . 16261 1 416 . 1 1 43 43 ASN H H 1 7.025 0.04 . 1 . . . . 43 ASN H . 16261 1 417 . 1 1 43 43 ASN HA H 1 4.767 0.04 . 1 . . . . 43 ASN HA . 16261 1 418 . 1 1 43 43 ASN HB2 H 1 3.147 0.04 . 2 . . . . 43 ASN HB1 . 16261 1 419 . 1 1 43 43 ASN HB3 H 1 2.93 0.04 . 2 . . . . 43 ASN HB2 . 16261 1 420 . 1 1 43 43 ASN HD21 H 1 7.568 0.04 . 2 . . . . 43 ASN HD21 . 16261 1 421 . 1 1 43 43 ASN HD22 H 1 6.773 0.04 . 2 . . . . 43 ASN HD22 . 16261 1 422 . 1 1 43 43 ASN CA C 13 51.715 0.2 . 1 . . . . 43 ASN CA . 16261 1 423 . 1 1 43 43 ASN CB C 13 41.011 0.2 . 1 . . . . 43 ASN CB . 16261 1 424 . 1 1 43 43 ASN N N 15 111.36 0.2 . 1 . . . . 43 ASN N . 16261 1 425 . 1 1 43 43 ASN ND2 N 15 115.22 0.2 . 1 . . . . 43 ASN ND2 . 16261 1 426 . 1 1 44 44 ARG H H 1 8.735 0.04 . 1 . . . . 44 ARG H . 16261 1 427 . 1 1 44 44 ARG HA H 1 3.868 0.04 . 1 . . . . 44 ARG HA . 16261 1 428 . 1 1 44 44 ARG HB2 H 1 1.539 0.04 . 2 . . . . 44 ARG HB1 . 16261 1 429 . 1 1 44 44 ARG HB3 H 1 1.283 0.04 . 2 . . . . 44 ARG HB2 . 16261 1 430 . 1 1 44 44 ARG HG2 H 1 1.719 0.04 . 2 . . . . 44 ARG HG1 . 16261 1 431 . 1 1 44 44 ARG CA C 13 60.307 0.2 . 1 . . . . 44 ARG CA . 16261 1 432 . 1 1 44 44 ARG CB C 13 30.895 0.2 . 1 . . . . 44 ARG CB . 16261 1 433 . 1 1 44 44 ARG N N 15 118.87 0.2 . 1 . . . . 44 ARG N . 16261 1 434 . 1 1 45 45 ALA H H 1 8.381 0.04 . 1 . . . . 45 ALA H . 16261 1 435 . 1 1 45 45 ALA HA H 1 3.814 0.04 . 1 . . . . 45 ALA HA . 16261 1 436 . 1 1 45 45 ALA HB1 H 1 1.239 0.04 . 2 . . . . 45 ALA HB . 16261 1 437 . 1 1 45 45 ALA HB2 H 1 1.239 0.04 . 2 . . . . 45 ALA HB . 16261 1 438 . 1 1 45 45 ALA HB3 H 1 1.239 0.04 . 2 . . . . 45 ALA HB . 16261 1 439 . 1 1 45 45 ALA CA C 13 56.384 0.2 . 1 . . . . 45 ALA CA . 16261 1 440 . 1 1 45 45 ALA CB C 13 17.8 0.2 . 1 . . . . 45 ALA CB . 16261 1 441 . 1 1 45 45 ALA N N 15 125.36 0.2 . 1 . . . . 45 ALA N . 16261 1 442 . 1 1 46 46 CYS H H 1 8.027 0.04 . 1 . . . . 46 CYS H . 16261 1 443 . 1 1 46 46 CYS HA H 1 4.168 0.04 . 1 . . . . 46 CYS HA . 16261 1 444 . 1 1 46 46 CYS HB2 H 1 3.323 0.04 . 2 . . . . 46 CYS HB1 . 16261 1 445 . 1 1 46 46 CYS HB3 H 1 3.17 0.04 . 2 . . . . 46 CYS HB2 . 16261 1 446 . 1 1 46 46 CYS CA C 13 59.006 0.2 . 1 . . . . 46 CYS CA . 16261 1 447 . 1 1 46 46 CYS CB C 13 33.41 0.2 . 1 . . . . 46 CYS CB . 16261 1 448 . 1 1 46 46 CYS N N 15 117.4 0.2 . 1 . . . . 46 CYS N . 16261 1 449 . 1 1 47 47 ALA H H 1 7.144 0.04 . 1 . . . . 47 ALA H . 16261 1 450 . 1 1 47 47 ALA HA H 1 3.837 0.04 . 1 . . . . 47 ALA HA . 16261 1 451 . 1 1 47 47 ALA HB1 H 1 1.337 0.04 . 2 . . . . 47 ALA HB . 16261 1 452 . 1 1 47 47 ALA HB2 H 1 1.337 0.04 . 2 . . . . 47 ALA HB . 16261 1 453 . 1 1 47 47 ALA HB3 H 1 1.337 0.04 . 2 . . . . 47 ALA HB . 16261 1 454 . 1 1 47 47 ALA CA C 13 55.13 0.2 . 1 . . . . 47 ALA CA . 16261 1 455 . 1 1 47 47 ALA CB C 13 19.618 0.2 . 1 . . . . 47 ALA CB . 16261 1 456 . 1 1 47 47 ALA N N 15 123.13 0.2 . 1 . . . . 47 ALA N . 16261 1 457 . 1 1 48 48 TYR H H 1 8.841 0.04 . 1 . . . . 48 TYR H . 16261 1 458 . 1 1 48 48 TYR HA H 1 3.896 0.04 . 1 . . . . 48 TYR HA . 16261 1 459 . 1 1 48 48 TYR HB2 H 1 3.005 0.04 . 2 . . . . 48 TYR HB1 . 16261 1 460 . 1 1 48 48 TYR HD1 H 1 6.798 0.04 . 3 . . . . 48 TYR HD1 . 16261 1 461 . 1 1 48 48 TYR HE1 H 1 6.449 0.04 . 3 . . . . 48 TYR HE1 . 16261 1 462 . 1 1 48 48 TYR CA C 13 63.769 0.2 . 1 . . . . 48 TYR CA . 16261 1 463 . 1 1 48 48 TYR CB C 13 40.446 0.2 . 1 . . . . 48 TYR CB . 16261 1 464 . 1 1 48 48 TYR CD1 C 13 132.94 0.2 . 3 . . . . 48 TYR CD1 . 16261 1 465 . 1 1 48 48 TYR CE1 C 13 118.57 0.2 . 3 . . . . 48 TYR CE1 . 16261 1 466 . 1 1 48 48 TYR N N 15 120.86 0.2 . 1 . . . . 48 TYR N . 16261 1 467 . 1 1 49 49 ARG H H 1 8.501 0.04 . 1 . . . . 49 ARG H . 16261 1 468 . 1 1 49 49 ARG HA H 1 3.84 0.04 . 1 . . . . 49 ARG HA . 16261 1 469 . 1 1 49 49 ARG HB2 H 1 2.048 0.04 . 2 . . . . 49 ARG HB1 . 16261 1 470 . 1 1 49 49 ARG CA C 13 60.324 0.2 . 1 . . . . 49 ARG CA . 16261 1 471 . 1 1 49 49 ARG CB C 13 29.89 0.2 . 1 . . . . 49 ARG CB . 16261 1 472 . 1 1 49 49 ARG N N 15 117.11 0.2 . 1 . . . . 49 ARG N . 16261 1 473 . 1 1 50 50 LYS H H 1 7.817 0.04 . 1 . . . . 50 LYS H . 16261 1 474 . 1 1 50 50 LYS HA H 1 3.965 0.04 . 1 . . . . 50 LYS HA . 16261 1 475 . 1 1 50 50 LYS HB2 H 1 1.983 0.04 . 2 . . . . 50 LYS HB1 . 16261 1 476 . 1 1 50 50 LYS HB3 H 1 1.739 0.04 . 2 . . . . 50 LYS HB2 . 16261 1 477 . 1 1 50 50 LYS CA C 13 61.111 0.2 . 1 . . . . 50 LYS CA . 16261 1 478 . 1 1 50 50 LYS CB C 13 33.272 0.2 . 1 . . . . 50 LYS CB . 16261 1 479 . 1 1 50 50 LYS N N 15 119.51 0.2 . 1 . . . . 50 LYS N . 16261 1 480 . 1 1 51 51 MET H H 1 7.934 0.04 . 1 . . . . 51 MET H . 16261 1 481 . 1 1 51 51 MET HA H 1 4.199 0.04 . 1 . . . . 51 MET HA . 16261 1 482 . 1 1 51 51 MET HB2 H 1 1.876 0.04 . 2 . . . . 51 MET HB1 . 16261 1 483 . 1 1 51 51 MET HG2 H 1 2.25 0.04 . 2 . . . . 51 MET HG1 . 16261 1 484 . 1 1 51 51 MET CA C 13 60.407 0.2 . 1 . . . . 51 MET CA . 16261 1 485 . 1 1 51 51 MET CB C 13 33.492 0.2 . 1 . . . . 51 MET CB . 16261 1 486 . 1 1 51 51 MET CG C 13 29.263 0.2 . 1 . . . . 51 MET CG . 16261 1 487 . 1 1 51 51 MET N N 15 119.74 0.2 . 1 . . . . 51 MET N . 16261 1 488 . 1 1 52 52 CYS H H 1 8.545 0.04 . 1 . . . . 52 CYS H . 16261 1 489 . 1 1 52 52 CYS HA H 1 4.018 0.04 . 1 . . . . 52 CYS HA . 16261 1 490 . 1 1 52 52 CYS HB2 H 1 3.245 0.04 . 2 . . . . 52 CYS HB1 . 16261 1 491 . 1 1 52 52 CYS HB3 H 1 2.893 0.04 . 2 . . . . 52 CYS HB2 . 16261 1 492 . 1 1 52 52 CYS CA C 13 60.109 0.2 . 1 . . . . 52 CYS CA . 16261 1 493 . 1 1 52 52 CYS CB C 13 40.79 0.2 . 1 . . . . 52 CYS CB . 16261 1 494 . 1 1 52 52 CYS N N 15 119.16 0.2 . 1 . . . . 52 CYS N . 16261 1 495 . 1 1 53 53 ALA H H 1 7.626 0.04 . 1 . . . . 53 ALA H . 16261 1 496 . 1 1 53 53 ALA HA H 1 4.182 0.04 . 1 . . . . 53 ALA HA . 16261 1 497 . 1 1 53 53 ALA HB1 H 1 1.445 0.04 . 3 . . . . 53 ALA HB . 16261 1 498 . 1 1 53 53 ALA HB2 H 1 1.445 0.04 . 3 . . . . 53 ALA HB . 16261 1 499 . 1 1 53 53 ALA HB3 H 1 1.445 0.04 . 3 . . . . 53 ALA HB . 16261 1 500 . 1 1 53 53 ALA CA C 13 54.149 0.2 . 1 . . . . 53 ALA CA . 16261 1 501 . 1 1 53 53 ALA CB C 13 18.492 0.2 . 1 . . . . 53 ALA CB . 16261 1 502 . 1 1 53 53 ALA N N 15 122.36 0.2 . 1 . . . . 53 ALA N . 16261 1 503 . 1 1 54 54 THR H H 1 7.041 0.04 . 1 . . . . 54 THR H . 16261 1 504 . 1 1 54 54 THR HA H 1 4.18 0.04 . 1 . . . . 54 THR HA . 16261 1 505 . 1 1 54 54 THR HB H 1 4.343 0.04 . 1 . . . . 54 THR HB . 16261 1 506 . 1 1 54 54 THR HG21 H 1 1.315 0.04 . 2 . . . . 54 THR HG2 . 16261 1 507 . 1 1 54 54 THR HG22 H 1 1.315 0.04 . 2 . . . . 54 THR HG2 . 16261 1 508 . 1 1 54 54 THR HG23 H 1 1.315 0.04 . 2 . . . . 54 THR HG2 . 16261 1 509 . 1 1 54 54 THR CA C 13 63.143 0.2 . 1 . . . . 54 THR CA . 16261 1 510 . 1 1 54 54 THR CB C 13 71.301 0.2 . 1 . . . . 54 THR CB . 16261 1 511 . 1 1 54 54 THR CG2 C 13 21.036 0.2 . 1 . . . . 54 THR CG2 . 16261 1 512 . 1 1 54 54 THR N N 15 107.78 0.2 . 1 . . . . 54 THR N . 16261 1 513 . 1 1 55 55 ASN H H 1 8.071 0.04 . 1 . . . . 55 ASN H . 16261 1 514 . 1 1 55 55 ASN HA H 1 4.409 0.04 . 1 . . . . 55 ASN HA . 16261 1 515 . 1 1 55 55 ASN HB2 H 1 2.943 0.04 . 2 . . . . 55 ASN HB1 . 16261 1 516 . 1 1 55 55 ASN HD21 H 1 7.454 0.04 . 2 . . . . 55 ASN HD21 . 16261 1 517 . 1 1 55 55 ASN HD22 H 1 6.745 0.04 . 2 . . . . 55 ASN HD22 . 16261 1 518 . 1 1 55 55 ASN CA C 13 55.475 0.2 . 1 . . . . 55 ASN CA . 16261 1 519 . 1 1 55 55 ASN CB C 13 38.226 0.2 . 1 . . . . 55 ASN CB . 16261 1 520 . 1 1 55 55 ASN N N 15 114.22 0.2 . 1 . . . . 55 ASN N . 16261 1 521 . 1 1 55 55 ASN ND2 N 15 113.5 0.2 . 1 . . . . 55 ASN ND2 . 16261 1 522 . 1 1 56 56 ASN H H 1 7.751 0.04 . 1 . . . . 56 ASN H . 16261 1 523 . 1 1 56 56 ASN HA H 1 4.598 0.04 . 1 . . . . 56 ASN HA . 16261 1 524 . 1 1 56 56 ASN HB2 H 1 2.837 0.04 . 2 . . . . 56 ASN HB1 . 16261 1 525 . 1 1 56 56 ASN HB3 H 1 2.528 0.04 . 2 . . . . 56 ASN HB2 . 16261 1 526 . 1 1 56 56 ASN HD21 H 1 7.527 0.04 . 2 . . . . 56 ASN HD21 . 16261 1 527 . 1 1 56 56 ASN HD22 H 1 6.768 0.04 . 2 . . . . 56 ASN HD22 . 16261 1 528 . 1 1 56 56 ASN CA C 13 53.301 0.2 . 1 . . . . 56 ASN CA . 16261 1 529 . 1 1 56 56 ASN CB C 13 38.408 0.2 . 1 . . . . 56 ASN CB . 16261 1 530 . 1 1 56 56 ASN N N 15 117.4 0.2 . 1 . . . . 56 ASN N . 16261 1 531 . 1 1 56 56 ASN ND2 N 15 112.86 0.2 . 1 . . . . 56 ASN ND2 . 16261 1 532 . 1 1 57 57 LEU H H 1 8.623 0.04 . 1 . . . . 57 LEU H . 16261 1 533 . 1 1 57 57 LEU HA H 1 3.783 0.04 . 1 . . . . 57 LEU HA . 16261 1 534 . 1 1 57 57 LEU HB2 H 1 1.641 0.04 . 2 . . . . 57 LEU HB1 . 16261 1 535 . 1 1 57 57 LEU HB3 H 1 1.429 0.04 . 2 . . . . 57 LEU HB2 . 16261 1 536 . 1 1 57 57 LEU CA C 13 58.796 0.2 . 1 . . . . 57 LEU CA . 16261 1 537 . 1 1 57 57 LEU CB C 13 42.709 0.2 . 1 . . . . 57 LEU CB . 16261 1 538 . 1 1 57 57 LEU N N 15 127.19 0.2 . 1 . . . . 57 LEU N . 16261 1 539 . 1 1 58 58 GLU H H 1 8.353 0.04 . 1 . . . . 58 GLU H . 16261 1 540 . 1 1 58 58 GLU HA H 1 3.792 0.04 . 1 . . . . 58 GLU HA . 16261 1 541 . 1 1 58 58 GLU HB2 H 1 2.029 0.04 . 2 . . . . 58 GLU HB1 . 16261 1 542 . 1 1 58 58 GLU HG2 H 1 2.394 0.04 . 2 . . . . 58 GLU HG1 . 16261 1 543 . 1 1 58 58 GLU CA C 13 60.263 0.2 . 1 . . . . 58 GLU CA . 16261 1 544 . 1 1 58 58 GLU CB C 13 27.565 0.2 . 1 . . . . 58 GLU CB . 16261 1 545 . 1 1 58 58 GLU CG C 13 34.069 0.2 . 1 . . . . 58 GLU CG . 16261 1 546 . 1 1 58 58 GLU N N 15 117.37 0.2 . 1 . . . . 58 GLU N . 16261 1 547 . 1 1 59 59 GLN H H 1 7.434 0.04 . 1 . . . . 59 GLN H . 16261 1 548 . 1 1 59 59 GLN HA H 1 3.85 0.04 . 1 . . . . 59 GLN HA . 16261 1 549 . 1 1 59 59 GLN HB2 H 1 1.909 0.04 . 2 . . . . 59 GLN HB1 . 16261 1 550 . 1 1 59 59 GLN HE21 H 1 7.317 0.04 . 2 . . . . 59 GLN HE21 . 16261 1 551 . 1 1 59 59 GLN HE22 H 1 6.629 0.04 . 2 . . . . 59 GLN HE22 . 16261 1 552 . 1 1 59 59 GLN HG2 H 1 2.201 0.04 . 2 . . . . 59 GLN HG1 . 16261 1 553 . 1 1 59 59 GLN CA C 13 58.858 0.2 . 1 . . . . 59 GLN CA . 16261 1 554 . 1 1 59 59 GLN CB C 13 28.858 0.2 . 1 . . . . 59 GLN CB . 16261 1 555 . 1 1 59 59 GLN CG C 13 34.31 0.2 . 1 . . . . 59 GLN CG . 16261 1 556 . 1 1 59 59 GLN N N 15 119.73 0.2 . 1 . . . . 59 GLN N . 16261 1 557 . 1 1 59 59 GLN NE2 N 15 111.95 0.2 . 1 . . . . 59 GLN NE2 . 16261 1 558 . 1 1 60 60 ALA H H 1 8.043 0.04 . 1 . . . . 60 ALA H . 16261 1 559 . 1 1 60 60 ALA HA H 1 4.09 0.04 . 1 . . . . 60 ALA HA . 16261 1 560 . 1 1 60 60 ALA HB1 H 1 1.528 0.04 . 2 . . . . 60 ALA HB . 16261 1 561 . 1 1 60 60 ALA HB2 H 1 1.528 0.04 . 2 . . . . 60 ALA HB . 16261 1 562 . 1 1 60 60 ALA HB3 H 1 1.528 0.04 . 2 . . . . 60 ALA HB . 16261 1 563 . 1 1 60 60 ALA CA C 13 55.496 0.2 . 1 . . . . 60 ALA CA . 16261 1 564 . 1 1 60 60 ALA CB C 13 19.168 0.2 . 1 . . . . 60 ALA CB . 16261 1 565 . 1 1 60 60 ALA N N 15 124.01 0.2 . 1 . . . . 60 ALA N . 16261 1 566 . 1 1 61 61 MET H H 1 8.69 0.04 . 1 . . . . 61 MET H . 16261 1 567 . 1 1 61 61 MET HA H 1 4.24 0.04 . 1 . . . . 61 MET HA . 16261 1 568 . 1 1 61 61 MET HB2 H 1 2.415 0.04 . 2 . . . . 61 MET HB1 . 16261 1 569 . 1 1 61 61 MET HB3 H 1 2.103 0.04 . 2 . . . . 61 MET HB2 . 16261 1 570 . 1 1 61 61 MET HG2 H 1 2.822 0.04 . 2 . . . . 61 MET HG1 . 16261 1 571 . 1 1 61 61 MET CA C 13 59.964 0.2 . 1 . . . . 61 MET CA . 16261 1 572 . 1 1 61 61 MET CB C 13 34.709 0.2 . 1 . . . . 61 MET CB . 16261 1 573 . 1 1 61 61 MET CG C 13 35.004 0.2 . 1 . . . . 61 MET CG . 16261 1 574 . 1 1 61 61 MET N N 15 114.84 0.2 . 1 . . . . 61 MET N . 16261 1 575 . 1 1 62 62 SER H H 1 7.697 0.04 . 1 . . . . 62 SER H . 16261 1 576 . 1 1 62 62 SER HA H 1 4.527 0.04 . 1 . . . . 62 SER HA . 16261 1 577 . 1 1 62 62 SER HB2 H 1 3.963 0.04 . 2 . . . . 62 SER HB1 . 16261 1 578 . 1 1 62 62 SER HB3 H 1 3.887 0.04 . 2 . . . . 62 SER HB2 . 16261 1 579 . 1 1 62 62 SER CA C 13 61.59 0.2 . 1 . . . . 62 SER CA . 16261 1 580 . 1 1 62 62 SER CB C 13 63.726 0.2 . 1 . . . . 62 SER CB . 16261 1 581 . 1 1 62 62 SER N N 15 115.29 0.2 . 1 . . . . 62 SER N . 16261 1 582 . 1 1 63 63 VAL H H 1 6.876 0.04 . 1 . . . . 63 VAL H . 16261 1 583 . 1 1 63 63 VAL HA H 1 3.366 0.04 . 1 . . . . 63 VAL HA . 16261 1 584 . 1 1 63 63 VAL HB H 1 1.222 0.04 . 1 . . . . 63 VAL HB . 16261 1 585 . 1 1 63 63 VAL HG11 H 1 0.744 0.04 . 2 . . . . 63 VAL HG1 . 16261 1 586 . 1 1 63 63 VAL HG12 H 1 0.744 0.04 . 2 . . . . 63 VAL HG1 . 16261 1 587 . 1 1 63 63 VAL HG13 H 1 0.744 0.04 . 2 . . . . 63 VAL HG1 . 16261 1 588 . 1 1 63 63 VAL HG21 H 1 0.108 0.04 . 2 . . . . 63 VAL HG2 . 16261 1 589 . 1 1 63 63 VAL HG22 H 1 0.108 0.04 . 2 . . . . 63 VAL HG2 . 16261 1 590 . 1 1 63 63 VAL HG23 H 1 0.108 0.04 . 2 . . . . 63 VAL HG2 . 16261 1 591 . 1 1 63 63 VAL CA C 13 65.247 0.2 . 1 . . . . 63 VAL CA . 16261 1 592 . 1 1 63 63 VAL CB C 13 32.621 0.2 . 1 . . . . 63 VAL CB . 16261 1 593 . 1 1 63 63 VAL CG1 C 13 22.842 0.2 . 2 . . . . 63 VAL CG1 . 16261 1 594 . 1 1 63 63 VAL CG2 C 13 21.339 0.2 . 2 . . . . 63 VAL CG2 . 16261 1 595 . 1 1 63 63 VAL N N 15 120.72 0.2 . 1 . . . . 63 VAL N . 16261 1 596 . 1 1 64 64 TYR H H 1 6.677 0.04 . 1 . . . . 64 TYR H . 16261 1 597 . 1 1 64 64 TYR HA H 1 4.274 0.04 . 1 . . . . 64 TYR HA . 16261 1 598 . 1 1 64 64 TYR HB2 H 1 2.515 0.04 . 2 . . . . 64 TYR HB1 . 16261 1 599 . 1 1 64 64 TYR HB3 H 1 1.751 0.04 . 2 . . . . 64 TYR HB2 . 16261 1 600 . 1 1 64 64 TYR HD1 H 1 6.814 0.04 . 3 . . . . 64 TYR HD1 . 16261 1 601 . 1 1 64 64 TYR HE1 H 1 6.538 0.04 . 3 . . . . 64 TYR HE1 . 16261 1 602 . 1 1 64 64 TYR CA C 13 57.735 0.2 . 1 . . . . 64 TYR CA . 16261 1 603 . 1 1 64 64 TYR CB C 13 42.007 0.2 . 1 . . . . 64 TYR CB . 16261 1 604 . 1 1 64 64 TYR CD1 C 13 132.89 0.2 . 3 . . . . 64 TYR CD1 . 16261 1 605 . 1 1 64 64 TYR CE1 C 13 118.7 0.2 . 3 . . . . 64 TYR CE1 . 16261 1 606 . 1 1 64 64 TYR N N 15 115.32 0.2 . 1 . . . . 64 TYR N . 16261 1 607 . 1 1 65 65 PHE H H 1 8.052 0.04 . 1 . . . . 65 PHE H . 16261 1 608 . 1 1 65 65 PHE HA H 1 5.16 0.04 . 1 . . . . 65 PHE HA . 16261 1 609 . 1 1 65 65 PHE HB2 H 1 3.109 0.04 . 2 . . . . 65 PHE HB1 . 16261 1 610 . 1 1 65 65 PHE HB3 H 1 2.507 0.04 . 2 . . . . 65 PHE HB2 . 16261 1 611 . 1 1 65 65 PHE HD1 H 1 7.317 0.04 . 3 . . . . 65 PHE HD1 . 16261 1 612 . 1 1 65 65 PHE HE1 H 1 7.047 0.04 . 3 . . . . 65 PHE HE1 . 16261 1 613 . 1 1 65 65 PHE HZ H 1 6.978 0.04 . 1 . . . . 65 PHE HZ . 16261 1 614 . 1 1 65 65 PHE CA C 13 56.486 0.2 . 1 . . . . 65 PHE CA . 16261 1 615 . 1 1 65 65 PHE CB C 13 43.296 0.2 . 1 . . . . 65 PHE CB . 16261 1 616 . 1 1 65 65 PHE CD1 C 13 133.05 0.2 . 3 . . . . 65 PHE CD1 . 16261 1 617 . 1 1 65 65 PHE CE1 C 13 128.91 0.2 . 3 . . . . 65 PHE CE1 . 16261 1 618 . 1 1 65 65 PHE CZ C 13 130.4 0.2 . 1 . . . . 65 PHE CZ . 16261 1 619 . 1 1 65 65 PHE N N 15 117.41 0.2 . 1 . . . . 65 PHE N . 16261 1 620 . 1 1 66 66 THR H H 1 8.302 0.04 . 1 . . . . 66 THR H . 16261 1 621 . 1 1 66 66 THR HA H 1 4.657 0.04 . 1 . . . . 66 THR HA . 16261 1 622 . 1 1 66 66 THR HB H 1 4.331 0.04 . 1 . . . . 66 THR HB . 16261 1 623 . 1 1 66 66 THR HG21 H 1 1.207 0.04 . 2 . . . . 66 THR HG2 . 16261 1 624 . 1 1 66 66 THR HG22 H 1 1.207 0.04 . 2 . . . . 66 THR HG2 . 16261 1 625 . 1 1 66 66 THR HG23 H 1 1.207 0.04 . 2 . . . . 66 THR HG2 . 16261 1 626 . 1 1 66 66 THR CA C 13 60.932 0.2 . 1 . . . . 66 THR CA . 16261 1 627 . 1 1 66 66 THR CB C 13 71.138 0.2 . 1 . . . . 66 THR CB . 16261 1 628 . 1 1 66 66 THR CG2 C 13 21.9 0.2 . 1 . . . . 66 THR CG2 . 16261 1 629 . 1 1 66 66 THR N N 15 111.43 0.2 . 1 . . . . 66 THR N . 16261 1 630 . 1 1 67 67 ASN H H 1 9.025 0.04 . 1 . . . . 67 ASN H . 16261 1 631 . 1 1 67 67 ASN HA H 1 4.223 0.04 . 1 . . . . 67 ASN HA . 16261 1 632 . 1 1 67 67 ASN HB2 H 1 2.734 0.04 . 2 . . . . 67 ASN HB1 . 16261 1 633 . 1 1 67 67 ASN HB3 H 1 2.677 0.04 . 2 . . . . 67 ASN HB2 . 16261 1 634 . 1 1 67 67 ASN HD21 H 1 7.563 0.04 . 2 . . . . 67 ASN HD21 . 16261 1 635 . 1 1 67 67 ASN HD22 H 1 6.867 0.04 . 2 . . . . 67 ASN HD22 . 16261 1 636 . 1 1 67 67 ASN CA C 13 57.459 0.2 . 1 . . . . 67 ASN CA . 16261 1 637 . 1 1 67 67 ASN CB C 13 38.18 0.2 . 1 . . . . 67 ASN CB . 16261 1 638 . 1 1 67 67 ASN N N 15 120.12 0.2 . 1 . . . . 67 ASN N . 16261 1 639 . 1 1 67 67 ASN ND2 N 15 112.93 0.2 . 1 . . . . 67 ASN ND2 . 16261 1 640 . 1 1 68 68 GLU H H 1 8.403 0.04 . 1 . . . . 68 GLU H . 16261 1 641 . 1 1 68 68 GLU HA H 1 3.956 0.04 . 1 . . . . 68 GLU HA . 16261 1 642 . 1 1 68 68 GLU HB2 H 1 2.02 0.04 . 2 . . . . 68 GLU HB1 . 16261 1 643 . 1 1 68 68 GLU HB3 H 1 1.897 0.04 . 2 . . . . 68 GLU HB2 . 16261 1 644 . 1 1 68 68 GLU HG2 H 1 2.457 0.04 . 2 . . . . 68 GLU HG1 . 16261 1 645 . 1 1 68 68 GLU CA C 13 59.7 0.2 . 1 . . . . 68 GLU CA . 16261 1 646 . 1 1 68 68 GLU CB C 13 28.105 0.2 . 1 . . . . 68 GLU CB . 16261 1 647 . 1 1 68 68 GLU CG C 13 33.838 0.2 . 1 . . . . 68 GLU CG . 16261 1 648 . 1 1 68 68 GLU N N 15 120.22 0.2 . 1 . . . . 68 GLU N . 16261 1 649 . 1 1 69 69 GLN H H 1 7.411 0.04 . 1 . . . . 69 GLN H . 16261 1 650 . 1 1 69 69 GLN HA H 1 3.822 0.04 . 1 . . . . 69 GLN HA . 16261 1 651 . 1 1 69 69 GLN HB2 H 1 2.604 0.04 . 2 . . . . 69 GLN HB1 . 16261 1 652 . 1 1 69 69 GLN HB3 H 1 1.78 0.04 . 2 . . . . 69 GLN HB2 . 16261 1 653 . 1 1 69 69 GLN HE21 H 1 7.167 0.04 . 2 . . . . 69 GLN HE21 . 16261 1 654 . 1 1 69 69 GLN HE22 H 1 6.72 0.04 . 2 . . . . 69 GLN HE22 . 16261 1 655 . 1 1 69 69 GLN HG2 H 1 2.856 0.04 . 2 . . . . 69 GLN HG1 . 16261 1 656 . 1 1 69 69 GLN HG3 H 1 2.43 0.04 . 2 . . . . 69 GLN HG2 . 16261 1 657 . 1 1 69 69 GLN CA C 13 58.952 0.2 . 1 . . . . 69 GLN CA . 16261 1 658 . 1 1 69 69 GLN CB C 13 28.418 0.2 . 1 . . . . 69 GLN CB . 16261 1 659 . 1 1 69 69 GLN N N 15 120.94 0.2 . 1 . . . . 69 GLN N . 16261 1 660 . 1 1 69 69 GLN NE2 N 15 108.37 0.2 . 1 . . . . 69 GLN NE2 . 16261 1 661 . 1 1 70 70 ILE H H 1 8.327 0.04 . 1 . . . . 70 ILE H . 16261 1 662 . 1 1 70 70 ILE HA H 1 3.036 0.04 . 1 . . . . 70 ILE HA . 16261 1 663 . 1 1 70 70 ILE HB H 1 1.74 0.04 . 1 . . . . 70 ILE HB . 16261 1 664 . 1 1 70 70 ILE HD11 H 1 0.565 0.04 . 2 . . . . 70 ILE HD1 . 16261 1 665 . 1 1 70 70 ILE HD12 H 1 0.565 0.04 . 2 . . . . 70 ILE HD1 . 16261 1 666 . 1 1 70 70 ILE HD13 H 1 0.565 0.04 . 2 . . . . 70 ILE HD1 . 16261 1 667 . 1 1 70 70 ILE HG12 H 1 1.403 0.04 . 2 . . . . 70 ILE HG11 . 16261 1 668 . 1 1 70 70 ILE HG21 H 1 0.666 0.04 . 2 . . . . 70 ILE HG2 . 16261 1 669 . 1 1 70 70 ILE HG22 H 1 0.666 0.04 . 2 . . . . 70 ILE HG2 . 16261 1 670 . 1 1 70 70 ILE HG23 H 1 0.666 0.04 . 2 . . . . 70 ILE HG2 . 16261 1 671 . 1 1 70 70 ILE CA C 13 66.926 0.2 . 1 . . . . 70 ILE CA . 16261 1 672 . 1 1 70 70 ILE CB C 13 38.603 0.2 . 1 . . . . 70 ILE CB . 16261 1 673 . 1 1 70 70 ILE CD1 C 13 14.08 0.2 . 1 . . . . 70 ILE CD1 . 16261 1 674 . 1 1 70 70 ILE CG1 C 13 27.576 0.2 . 1 . . . . 70 ILE CG1 . 16261 1 675 . 1 1 70 70 ILE CG2 C 13 17.413 0.2 . 1 . . . . 70 ILE CG2 . 16261 1 676 . 1 1 70 70 ILE N N 15 120.56 0.2 . 1 . . . . 70 ILE N . 16261 1 677 . 1 1 71 71 LYS H H 1 7.554 0.04 . 1 . . . . 71 LYS H . 16261 1 678 . 1 1 71 71 LYS HA H 1 3.909 0.04 . 1 . . . . 71 LYS HA . 16261 1 679 . 1 1 71 71 LYS HB2 H 1 1.909 0.04 . 2 . . . . 71 LYS HB1 . 16261 1 680 . 1 1 71 71 LYS HB3 H 1 1.749 0.04 . 2 . . . . 71 LYS HB2 . 16261 1 681 . 1 1 71 71 LYS CA C 13 60.156 0.2 . 1 . . . . 71 LYS CA . 16261 1 682 . 1 1 71 71 LYS CB C 13 32.294 0.2 . 1 . . . . 71 LYS CB . 16261 1 683 . 1 1 71 71 LYS N N 15 121.04 0.2 . 1 . . . . 71 LYS N . 16261 1 684 . 1 1 72 72 GLU H H 1 7.885 0.04 . 1 . . . . 72 GLU H . 16261 1 685 . 1 1 72 72 GLU HA H 1 3.989 0.04 . 1 . . . . 72 GLU HA . 16261 1 686 . 1 1 72 72 GLU HB2 H 1 2.226 0.04 . 2 . . . . 72 GLU HB1 . 16261 1 687 . 1 1 72 72 GLU HG2 H 1 2.641 0.04 . 2 . . . . 72 GLU HG1 . 16261 1 688 . 1 1 72 72 GLU CA C 13 60.266 0.2 . 1 . . . . 72 GLU CA . 16261 1 689 . 1 1 72 72 GLU CB C 13 30.213 0.2 . 1 . . . . 72 GLU CB . 16261 1 690 . 1 1 72 72 GLU CG C 13 36.158 0.2 . 1 . . . . 72 GLU CG . 16261 1 691 . 1 1 72 72 GLU N N 15 119.67 0.2 . 1 . . . . 72 GLU N . 16261 1 692 . 1 1 73 73 ILE H H 1 8.193 0.04 . 1 . . . . 73 ILE H . 16261 1 693 . 1 1 73 73 ILE HA H 1 3.312 0.04 . 1 . . . . 73 ILE HA . 16261 1 694 . 1 1 73 73 ILE HB H 1 1.484 0.04 . 1 . . . . 73 ILE HB . 16261 1 695 . 1 1 73 73 ILE HD11 H 1 -0.337 0.04 . 2 . . . . 73 ILE HD1 . 16261 1 696 . 1 1 73 73 ILE HD12 H 1 -0.337 0.04 . 2 . . . . 73 ILE HD1 . 16261 1 697 . 1 1 73 73 ILE HD13 H 1 -0.337 0.04 . 2 . . . . 73 ILE HD1 . 16261 1 698 . 1 1 73 73 ILE HG12 H 1 1.573 0.04 . 2 . . . . 73 ILE HG11 . 16261 1 699 . 1 1 73 73 ILE HG13 H 1 0.391 0.04 . 2 . . . . 73 ILE HG12 . 16261 1 700 . 1 1 73 73 ILE HG21 H 1 0.663 0.04 . 2 . . . . 73 ILE HG2 . 16261 1 701 . 1 1 73 73 ILE HG22 H 1 0.663 0.04 . 2 . . . . 73 ILE HG2 . 16261 1 702 . 1 1 73 73 ILE HG23 H 1 0.663 0.04 . 2 . . . . 73 ILE HG2 . 16261 1 703 . 1 1 73 73 ILE CA C 13 66.52 0.2 . 1 . . . . 73 ILE CA . 16261 1 704 . 1 1 73 73 ILE CB C 13 38.344 0.2 . 1 . . . . 73 ILE CB . 16261 1 705 . 1 1 73 73 ILE CD1 C 13 13.552 0.2 . 1 . . . . 73 ILE CD1 . 16261 1 706 . 1 1 73 73 ILE CG1 C 13 31.444 0.2 . 1 . . . . 73 ILE CG1 . 16261 1 707 . 1 1 73 73 ILE CG2 C 13 17.032 0.2 . 1 . . . . 73 ILE CG2 . 16261 1 708 . 1 1 73 73 ILE N N 15 121.39 0.2 . 1 . . . . 73 ILE N . 16261 1 709 . 1 1 74 74 HIS H H 1 8.624 0.04 . 1 . . . . 74 HIS H . 16261 1 710 . 1 1 74 74 HIS HA H 1 4.174 0.04 . 1 . . . . 74 HIS HA . 16261 1 711 . 1 1 74 74 HIS HB2 H 1 3.268 0.04 . 2 . . . . 74 HIS HB1 . 16261 1 712 . 1 1 74 74 HIS HD2 H 1 7.319 0.04 . 1 . . . . 74 HIS HD2 . 16261 1 713 . 1 1 74 74 HIS HE1 H 1 8.581 0.04 . 1 . . . . 74 HIS HE1 . 16261 1 714 . 1 1 74 74 HIS CA C 13 59.179 0.2 . 1 . . . . 74 HIS CA . 16261 1 715 . 1 1 74 74 HIS CB C 13 28.498 0.2 . 1 . . . . 74 HIS CB . 16261 1 716 . 1 1 74 74 HIS CD2 C 13 121.68 0.2 . 1 . . . . 74 HIS CD2 . 16261 1 717 . 1 1 74 74 HIS CE1 C 13 137.43 0.2 . 1 . . . . 74 HIS CE1 . 16261 1 718 . 1 1 74 74 HIS N N 15 119.43 0.2 . 1 . . . . 74 HIS N . 16261 1 719 . 1 1 75 75 ASP H H 1 8.824 0.04 . 1 . . . . 75 ASP H . 16261 1 720 . 1 1 75 75 ASP HA H 1 4.276 0.04 . 1 . . . . 75 ASP HA . 16261 1 721 . 1 1 75 75 ASP HB2 H 1 2.829 0.04 . 2 . . . . 75 ASP HB1 . 16261 1 722 . 1 1 75 75 ASP CA C 13 56.474 0.2 . 1 . . . . 75 ASP CA . 16261 1 723 . 1 1 75 75 ASP CB C 13 38.1 0.2 . 1 . . . . 75 ASP CB . 16261 1 724 . 1 1 75 75 ASP N N 15 119.98 0.2 . 1 . . . . 75 ASP N . 16261 1 725 . 1 1 76 76 ALA H H 1 8.064 0.04 . 1 . . . . 76 ALA H . 16261 1 726 . 1 1 76 76 ALA HA H 1 4.012 0.04 . 1 . . . . 76 ALA HA . 16261 1 727 . 1 1 76 76 ALA HB1 H 1 1.373 0.04 . 2 . . . . 76 ALA HB . 16261 1 728 . 1 1 76 76 ALA HB2 H 1 1.373 0.04 . 2 . . . . 76 ALA HB . 16261 1 729 . 1 1 76 76 ALA HB3 H 1 1.373 0.04 . 2 . . . . 76 ALA HB . 16261 1 730 . 1 1 76 76 ALA CA C 13 54.988 0.2 . 1 . . . . 76 ALA CA . 16261 1 731 . 1 1 76 76 ALA CB C 13 20.747 0.2 . 1 . . . . 76 ALA CB . 16261 1 732 . 1 1 76 76 ALA N N 15 125.03 0.2 . 1 . . . . 76 ALA N . 16261 1 733 . 1 1 77 77 ALA H H 1 8.659 0.04 . 1 . . . . 77 ALA H . 16261 1 734 . 1 1 77 77 ALA HA H 1 3.613 0.04 . 1 . . . . 77 ALA HA . 16261 1 735 . 1 1 77 77 ALA HB1 H 1 1.302 0.04 . 2 . . . . 77 ALA HB . 16261 1 736 . 1 1 77 77 ALA HB2 H 1 1.302 0.04 . 2 . . . . 77 ALA HB . 16261 1 737 . 1 1 77 77 ALA HB3 H 1 1.302 0.04 . 2 . . . . 77 ALA HB . 16261 1 738 . 1 1 77 77 ALA CA C 13 55.772 0.2 . 1 . . . . 77 ALA CA . 16261 1 739 . 1 1 77 77 ALA CB C 13 18.217 0.2 . 1 . . . . 77 ALA CB . 16261 1 740 . 1 1 77 77 ALA N N 15 122.06 0.2 . 1 . . . . 77 ALA N . 16261 1 741 . 1 1 78 78 THR H H 1 7.651 0.04 . 1 . . . . 78 THR H . 16261 1 742 . 1 1 78 78 THR HA H 1 3.762 0.04 . 1 . . . . 78 THR HA . 16261 1 743 . 1 1 78 78 THR HB H 1 4.105 0.04 . 1 . . . . 78 THR HB . 16261 1 744 . 1 1 78 78 THR HG21 H 1 1.052 0.04 . 2 . . . . 78 THR HG2 . 16261 1 745 . 1 1 78 78 THR HG22 H 1 1.052 0.04 . 2 . . . . 78 THR HG2 . 16261 1 746 . 1 1 78 78 THR HG23 H 1 1.052 0.04 . 2 . . . . 78 THR HG2 . 16261 1 747 . 1 1 78 78 THR CA C 13 66.36 0.2 . 1 . . . . 78 THR CA . 16261 1 748 . 1 1 78 78 THR CB C 13 68.873 0.2 . 1 . . . . 78 THR CB . 16261 1 749 . 1 1 78 78 THR CG2 C 13 22.076 0.2 . 1 . . . . 78 THR CG2 . 16261 1 750 . 1 1 78 78 THR N N 15 113.58 0.2 . 1 . . . . 78 THR N . 16261 1 751 . 1 1 79 79 ALA H H 1 7.291 0.04 . 1 . . . . 79 ALA H . 16261 1 752 . 1 1 79 79 ALA HA H 1 4.022 0.04 . 1 . . . . 79 ALA HA . 16261 1 753 . 1 1 79 79 ALA HB1 H 1 1.301 0.04 . 2 . . . . 79 ALA HB . 16261 1 754 . 1 1 79 79 ALA HB2 H 1 1.301 0.04 . 2 . . . . 79 ALA HB . 16261 1 755 . 1 1 79 79 ALA HB3 H 1 1.301 0.04 . 2 . . . . 79 ALA HB . 16261 1 756 . 1 1 79 79 ALA CA C 13 54.713 0.2 . 1 . . . . 79 ALA CA . 16261 1 757 . 1 1 79 79 ALA CB C 13 18.695 0.2 . 1 . . . . 79 ALA CB . 16261 1 758 . 1 1 79 79 ALA N N 15 123.33 0.2 . 1 . . . . 79 ALA N . 16261 1 759 . 1 1 80 80 CYS H H 1 7.781 0.04 . 1 . . . . 80 CYS H . 16261 1 760 . 1 1 80 80 CYS HA H 1 4.295 0.04 . 1 . . . . 80 CYS HA . 16261 1 761 . 1 1 80 80 CYS HB2 H 1 2.971 0.04 . 2 . . . . 80 CYS HB1 . 16261 1 762 . 1 1 80 80 CYS CA C 13 57.577 0.2 . 1 . . . . 80 CYS CA . 16261 1 763 . 1 1 80 80 CYS CB C 13 43.192 0.2 . 1 . . . . 80 CYS CB . 16261 1 764 . 1 1 80 80 CYS N N 15 115.19 0.2 . 1 . . . . 80 CYS N . 16261 1 765 . 1 1 81 81 ASP H H 1 7.323 0.04 . 1 . . . . 81 ASP H . 16261 1 766 . 1 1 81 81 ASP HA H 1 4.743 0.04 . 1 . . . . 81 ASP HA . 16261 1 767 . 1 1 81 81 ASP HB2 H 1 2.893 0.04 . 2 . . . . 81 ASP HB1 . 16261 1 768 . 1 1 81 81 ASP HB3 H 1 2.664 0.04 . 2 . . . . 81 ASP HB2 . 16261 1 769 . 1 1 81 81 ASP CA C 13 52.419 0.2 . 1 . . . . 81 ASP CA . 16261 1 770 . 1 1 81 81 ASP CB C 13 40.376 0.2 . 1 . . . . 81 ASP CB . 16261 1 771 . 1 1 81 81 ASP N N 15 121.57 0.2 . 1 . . . . 81 ASP N . 16261 1 772 . 1 1 82 82 PRO HA H 1 4.312 0.04 . 1 . . . . 82 PRO HA . 16261 1 773 . 1 1 82 82 PRO HB2 H 1 2.213 0.04 . 2 . . . . 82 PRO HB1 . 16261 1 774 . 1 1 82 82 PRO HB3 H 1 1.863 0.04 . 2 . . . . 82 PRO HB2 . 16261 1 775 . 1 1 82 82 PRO HD2 H 1 3.926 0.04 . 2 . . . . 82 PRO HD1 . 16261 1 776 . 1 1 82 82 PRO HG2 H 1 2.149 0.04 . 2 . . . . 82 PRO HG1 . 16261 1 777 . 1 1 82 82 PRO CA C 13 64.427 0.2 . 1 . . . . 82 PRO CA . 16261 1 778 . 1 1 82 82 PRO CB C 13 32.685 0.2 . 1 . . . . 82 PRO CB . 16261 1 779 . 1 1 82 82 PRO CD C 13 51.268 0.2 . 1 . . . . 82 PRO CD . 16261 1 780 . 1 1 83 83 GLU H H 1 8.036 0.04 . 1 . . . . 83 GLU H . 16261 1 781 . 1 1 83 83 GLU HA H 1 4.126 0.04 . 1 . . . . 83 GLU HA . 16261 1 782 . 1 1 83 83 GLU HB2 H 1 1.987 0.04 . 2 . . . . 83 GLU HB1 . 16261 1 783 . 1 1 83 83 GLU HB3 H 1 1.84 0.04 . 2 . . . . 83 GLU HB2 . 16261 1 784 . 1 1 83 83 GLU HG2 H 1 2.345 0.04 . 2 . . . . 83 GLU HG1 . 16261 1 785 . 1 1 83 83 GLU CA C 13 56.523 0.2 . 1 . . . . 83 GLU CA . 16261 1 786 . 1 1 83 83 GLU CB C 13 28.819 0.2 . 1 . . . . 83 GLU CB . 16261 1 787 . 1 1 83 83 GLU CG C 13 33.956 0.2 . 1 . . . . 83 GLU CG . 16261 1 788 . 1 1 83 83 GLU N N 15 118.55 0.2 . 1 . . . . 83 GLU N . 16261 1 789 . 1 1 84 84 ALA H H 1 7.695 0.04 . 1 . . . . 84 ALA H . 16261 1 790 . 1 1 84 84 ALA HA H 1 4.083 0.04 . 1 . . . . 84 ALA HA . 16261 1 791 . 1 1 84 84 ALA HB1 H 1 1.219 0.04 . 2 . . . . 84 ALA HB . 16261 1 792 . 1 1 84 84 ALA HB2 H 1 1.219 0.04 . 2 . . . . 84 ALA HB . 16261 1 793 . 1 1 84 84 ALA HB3 H 1 1.219 0.04 . 2 . . . . 84 ALA HB . 16261 1 794 . 1 1 84 84 ALA CA C 13 52.963 0.2 . 1 . . . . 84 ALA CA . 16261 1 795 . 1 1 84 84 ALA CB C 13 19.516 0.2 . 1 . . . . 84 ALA CB . 16261 1 796 . 1 1 84 84 ALA N N 15 123.73 0.2 . 1 . . . . 84 ALA N . 16261 1 797 . 1 1 85 85 HIS H H 1 8.078 0.04 . 1 . . . . 85 HIS H . 16261 1 798 . 1 1 85 85 HIS HA H 1 4.529 0.04 . 1 . . . . 85 HIS HA . 16261 1 799 . 1 1 85 85 HIS HB2 H 1 3.132 0.04 . 2 . . . . 85 HIS HB1 . 16261 1 800 . 1 1 85 85 HIS HB3 H 1 3.021 0.04 . 2 . . . . 85 HIS HB2 . 16261 1 801 . 1 1 85 85 HIS HD2 H 1 7.176 0.04 . 5 . . . . 85 HIS HD2 . 16261 1 802 . 1 1 85 85 HIS HE1 H 1 8.509 0.04 . 5 . . . . 85 HIS HE1 . 16261 1 803 . 1 1 85 85 HIS CA C 13 55.48 0.2 . 1 . . . . 85 HIS CA . 16261 1 804 . 1 1 85 85 HIS CB C 13 29.115 0.2 . 1 . . . . 85 HIS CB . 16261 1 805 . 1 1 85 85 HIS CD2 C 13 120.3 0.2 . 5 . . . . 85 HIS CD2 . 16261 1 806 . 1 1 85 85 HIS CE1 C 13 136.63 0.2 . 5 . . . . 85 HIS CE1 . 16261 1 807 . 1 1 85 85 HIS N N 15 117.03 0.2 . 1 . . . . 85 HIS N . 16261 1 808 . 1 1 86 86 HIS H H 1 8.352 0.04 . 1 . . . . 86 HIS H . 16261 1 809 . 1 1 86 86 HIS HA H 1 4.596 0.04 . 1 . . . . 86 HIS HA . 16261 1 810 . 1 1 86 86 HIS HB2 H 1 3.157 0.04 . 2 . . . . 86 HIS HB1 . 16261 1 811 . 1 1 86 86 HIS HB3 H 1 3.02 0.04 . 2 . . . . 86 HIS HB2 . 16261 1 812 . 1 1 86 86 HIS HD2 H 1 7.177 0.04 . 5 . . . . 86 HIS HD2 . 16261 1 813 . 1 1 86 86 HIS HE1 H 1 8.506 0.04 . 5 . . . . 86 HIS HE1 . 16261 1 814 . 1 1 86 86 HIS CA C 13 55.496 0.2 . 1 . . . . 86 HIS CA . 16261 1 815 . 1 1 86 86 HIS CB C 13 29.414 0.2 . 1 . . . . 86 HIS CB . 16261 1 816 . 1 1 86 86 HIS CD2 C 13 120.31 0.2 . 5 . . . . 86 HIS CD2 . 16261 1 817 . 1 1 86 86 HIS CE1 C 13 136.64 0.2 . 5 . . . . 86 HIS CE1 . 16261 1 818 . 1 1 86 86 HIS N N 15 120.17 0.2 . 1 . . . . 86 HIS N . 16261 1 819 . 1 1 87 87 GLU H H 1 8.3 0.04 . 1 . . . . 87 GLU H . 16261 1 820 . 1 1 87 87 GLU HA H 1 4.194 0.04 . 1 . . . . 87 GLU HA . 16261 1 821 . 1 1 87 87 GLU HB2 H 1 1.849 0.04 . 2 . . . . 87 GLU HB1 . 16261 1 822 . 1 1 87 87 GLU HG2 H 1 2.282 0.04 . 2 . . . . 87 GLU HG1 . 16261 1 823 . 1 1 87 87 GLU CA C 13 56.264 0.2 . 1 . . . . 87 GLU CA . 16261 1 824 . 1 1 87 87 GLU CB C 13 29.329 0.2 . 1 . . . . 87 GLU CB . 16261 1 825 . 1 1 87 87 GLU CG C 13 33.508 0.2 . 1 . . . . 87 GLU CG . 16261 1 826 . 1 1 87 87 GLU N N 15 121.85 0.2 . 1 . . . . 87 GLU N . 16261 1 827 . 1 1 88 88 HIS H H 1 8.524 0.04 . 1 . . . . 88 HIS H . 16261 1 828 . 1 1 88 88 HIS HA H 1 4.597 0.04 . 1 . . . . 88 HIS HA . 16261 1 829 . 1 1 88 88 HIS HB2 H 1 3.101 0.04 . 2 . . . . 88 HIS HB1 . 16261 1 830 . 1 1 88 88 HIS HD2 H 1 7.177 0.04 . 5 . . . . 88 HIS HD2 . 16261 1 831 . 1 1 88 88 HIS HE1 H 1 8.507 0.04 . 5 . . . . 88 HIS HE1 . 16261 1 832 . 1 1 88 88 HIS CA C 13 55.621 0.2 . 1 . . . . 88 HIS CA . 16261 1 833 . 1 1 88 88 HIS CB C 13 29.15 0.2 . 1 . . . . 88 HIS CB . 16261 1 834 . 1 1 88 88 HIS CD2 C 13 120.31 0.2 . 5 . . . . 88 HIS CD2 . 16261 1 835 . 1 1 88 88 HIS CE1 C 13 136.64 0.2 . 5 . . . . 88 HIS CE1 . 16261 1 836 . 1 1 88 88 HIS N N 15 119.75 0.2 . 1 . . . . 88 HIS N . 16261 1 837 . 1 1 89 89 ASP H H 1 8.343 0.04 . 1 . . . . 89 ASP H . 16261 1 838 . 1 1 89 89 ASP HA H 1 4.579 0.04 . 1 . . . . 89 ASP HA . 16261 1 839 . 1 1 89 89 ASP HB2 H 1 3.105 0.04 . 2 . . . . 89 ASP HB1 . 16261 1 840 . 1 1 89 89 ASP CA C 13 53.805 0.2 . 1 . . . . 89 ASP CA . 16261 1 841 . 1 1 89 89 ASP CB C 13 38.56 0.2 . 1 . . . . 89 ASP CB . 16261 1 842 . 1 1 89 89 ASP N N 15 120.95 0.2 . 1 . . . . 89 ASP N . 16261 1 843 . 1 1 90 90 HIS HD2 H 1 7.177 0.04 . 5 . . . . 90 HIS HD2 . 16261 1 844 . 1 1 90 90 HIS HE1 H 1 8.502 0.04 . 5 . . . . 90 HIS HE1 . 16261 1 845 . 1 1 90 90 HIS CD2 C 13 120.31 0.2 . 5 . . . . 90 HIS CD2 . 16261 1 846 . 1 1 90 90 HIS CE1 C 13 136.65 0.2 . 5 . . . . 90 HIS CE1 . 16261 1 stop_ save_